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/fu-b29a2823/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/fu-b29a2823/inputs/seq.fa: 1 curr_seq: _CACCGGAuACCuuuGuuAuGuAACGuuuuCAuACuAuAACGAAGACAAGGCGAACCuuGuCuuCGuuAuAGuAuGuuuuAGAAGGAuGuCGACGGCAAGGCGAACCuuGCCGuCGACAuCCuuCuuuuuCGuuACAuAACAAAGGuAuCCCGAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CACCGGAuACCuuuGuuAuGuAACGuuuuCAuACuAuAACGAAGACAAGGCGAACCuuGuCuuCGuuAuAGuAuGuuuuAGAAGGAuGuCGACGGCAAGGCGAACCuuGCCGuCGACAuCCuuCuuuuuCGuuACAuAACAAAGGuAuCCCGAA 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 154 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: 775 n_atoms_counter: 775 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 154.000000 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/fu-b29a2823/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/fu-b29a2823/inputs/seq.fa: 1 curr_seq: _CACCGGAuACCuuuGuuAuGuAACGuuuuCAuACuAuAACGAAGACAAGGCGAACCuuGuCuuCGuuAuAGuAuGuuuuAGAAGGAuGuCGACGGCAAGGCGAACCuuGCCGuCGACAuCCuuCuuuuuCGuuACAuAACAAAGGuAuCCCGAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CACCGGAuACCuuuGuuAuGuAACGuuuuCAuACuAuAACGAAGACAAGGCGAACCuuGuCuuCGuuAuAGuAuGuuuuAGAAGGAuGuCGACGGCAAGGCGAACCuuGCCGuCGACAuCCuuCuuuuuCGuuACAuAACAAAGGuAuCCCGAA 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 154 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: 775 n_atoms_counter: 775 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 154.000000 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/fu-b29a2823/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/fu-b29a2823/inputs/seq.fa: 1 curr_seq: _CACCGGAuACCuuuGuuAuGuAACGuuuuCAuACuAuAACGAAGACAAGGCGAACCuuGuCuuCGuuAuAGuAuGuuuuAGAAGGAuGuCGACGGCAAGGCGAACCuuGCCGuCGACAuCCuuCuuuuuCGuuACAuAACAAAGGuAuCCCGAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CACCGGAuACCuuuGuuAuGuAACGuuuuCAuACuAuAACGAAGACAAGGCGAACCuuGuCuuCGuuAuAGuAuGuuuuAGAAGGAuGuCGACGGCAAGGCGAACCuuGCCGuCGACAuCCuuCuuuuuCGuuACAuAACAAAGGuAuCCCGAA 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 154 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: 775 n_atoms_counter: 775 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 154.000000 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/fu-b29a2823/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/fu-b29a2823/inputs/seq.fa: 1 curr_seq: _CACCGGAuACCuuuGuuAuGuAACGuuuuCAuACuAuAACGAAGACAAGGCGAACCuuGuCuuCGuuAuAGuAuGuuuuAGAAGGAuGuCGACGGCAAGGCGAACCuuGCCGuCGACAuCCuuCuuuuuCGuuACAuAACAAAGGuAuCCCGAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CACCGGAuACCuuuGuuAuGuAACGuuuuCAuACuAuAACGAAGACAAGGCGAACCuuGuCuuCGuuAuAGuAuGuuuuAGAAGGAuGuCGACGGCAAGGCGAACCuuGCCGuCGACAuCCuuCuuuuuCGuuACAuAACAAAGGuAuCCCGAA 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 154 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: 775 n_atoms_counter: 775 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 154.000000 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/fu-b29a2823/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/fu-b29a2823/inputs/seq.fa: 1 curr_seq: _CACCGGAuACCuuuGuuAuGuAACGuuuuCAuACuAuAACGAAGACAAGGCGAACCuuGuCuuCGuuAuAGuAuGuuuuAGAAGGAuGuCGACGGCAAGGCGAACCuuGCCGuCGACAuCCuuCuuuuuCGuuACAuAACAAAGGuAuCCCGAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CACCGGAuACCuuuGuuAuGuAACGuuuuCAuACuAuAACGAAGACAAGGCGAACCuuGuCuuCGuuAuAGuAuGuuuuAGAAGGAuGuCGACGGCAAGGCGAACCuuGCCGuCGACAuCCuuCuuuuuCGuuACAuAACAAAGGuAuCCCGAA 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 154 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: 775 n_atoms_counter: 775 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 154.000000 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/fu-b29a2823/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/fu-b29a2823/inputs/seq.fa: 1 curr_seq: _CACCGGAuACCuuuGuuAuGuAACGuuuuCAuACuAuAACGAAGACAAGGCGAACCuuGuCuuCGuuAuAGuAuGuuuuAGAAGGAuGuCGACGGCAAGGCGAACCuuGCCGuCGACAuCCuuCuuuuuCGuuACAuAACAAAGGuAuCCCGAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CACCGGAuACCuuuGuuAuGuAACGuuuuCAuACuAuAACGAAGACAAGGCGAACCuuGuCuuCGuuAuAGuAuGuuuuAGAAGGAuGuCGACGGCAAGGCGAACCuuGCCGuCGACAuCCuuCuuuuuCGuuACAuAACAAAGGuAuCCCGAA 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 154 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: 775 n_atoms_counter: 775 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 154.000000 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/fu-b29a2823/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/fu-b29a2823/inputs/seq.fa: 1 curr_seq: _CACCGGAuACCuuuGuuAuGuAACGuuuuCAuACuAuAACGAAGACAAGGCGAACCuuGuCuuCGuuAuAGuAuGuuuuAGAAGGAuGuCGACGGCAAGGCGAACCuuGCCGuCGACAuCCuuCuuuuuCGuuACAuAACAAAGGuAuCCCGAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CACCGGAuACCuuuGuuAuGuAACGuuuuCAuACuAuAACGAAGACAAGGCGAACCuuGuCuuCGuuAuAGuAuGuuuuAGAAGGAuGuCGACGGCAAGGCGAACCuuGCCGuCGACAuCCuuCuuuuuCGuuACAuAACAAAGGuAuCCCGAA 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 154 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: 775 n_atoms_counter: 775 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 154.000000 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/fu-b29a2823/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/fu-b29a2823/inputs/seq.fa: 1 curr_seq: _CACCGGAuACCuuuGuuAuGuAACGuuuuCAuACuAuAACGAAGACAAGGCGAACCuuGuCuuCGuuAuAGuAuGuuuuAGAAGGAuGuCGACGGCAAGGCGAACCuuGCCGuCGACAuCCuuCuuuuuCGuuACAuAACAAAGGuAuCCCGAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CACCGGAuACCuuuGuuAuGuAACGuuuuCAuACuAuAACGAAGACAAGGCGAACCuuGuCuuCGuuAuAGuAuGuuuuAGAAGGAuGuCGACGGCAAGGCGAACCuuGCCGuCGACAuCCuuCuuuuuCGuuACAuAACAAAGGuAuCCCGAA 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 154 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: 775 n_atoms_counter: 775 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 154.000000 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/fu-b29a2823/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/fu-b29a2823/inputs/seq.fa: 1 curr_seq: _CACCGGAuACCuuuGuuAuGuAACGuuuuCAuACuAuAACGAAGACAAGGCGAACCuuGuCuuCGuuAuAGuAuGuuuuAGAAGGAuGuCGACGGCAAGGCGAACCuuGCCGuCGACAuCCuuCuuuuuCGuuACAuAACAAAGGuAuCCCGAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CACCGGAuACCuuuGuuAuGuAACGuuuuCAuACuAuAACGAAGACAAGGCGAACCuuGuCuuCGuuAuAGuAuGuuuuAGAAGGAuGuCGACGGCAAGGCGAACCuuGCCGuCGACAuCCuuCuuuuuCGuuACAuAACAAAGGuAuCCCGAA 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 154 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: 775 n_atoms_counter: 775 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 154.000000 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/fu-b29a2823/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/fu-b29a2823/inputs/seq.fa: 1 curr_seq: _CACCGGAuACCuuuGuuAuGuAACGuuuuCAuACuAuAACGAAGACAAGGCGAACCuuGuCuuCGuuAuAGuAuGuuuuAGAAGGAuGuCGACGGCAAGGCGAACCuuGCCGuCGACAuCCuuCuuuuuCGuuACAuAACAAAGGuAuCCCGAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CACCGGAuACCuuuGuuAuGuAACGuuuuCAuACuAuAACGAAGACAAGGCGAACCuuGuCuuCGuuAuAGuAuGuuuuAGAAGGAuGuCGACGGCAAGGCGAACCuuGCCGuCGACAuCCuuCuuuuuCGuuACAuAACAAAGGuAuCCCGAA 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 154 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: 775 n_atoms_counter: 775 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 154.000000 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: -610.667422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.667422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.667422 (E_RNA) where: Base-Base interactions energy: -11.160 where: short stacking energy: -11.160 Base-Backbone interact. energy: -0.000 local terms energy: -599.507178 where: bonds (distance) C4'-P energy: -149.623 bonds (distance) P-C4' energy: -138.671 flat angles C4'-P-C4' energy: -113.071 flat angles P-C4'-P energy: -129.341 tors. eta vs tors. theta energy: -68.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -610.667422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.667422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.667422 (E_RNA) where: Base-Base interactions energy: -11.160 where: short stacking energy: -11.160 Base-Backbone interact. energy: -0.000 local terms energy: -599.507178 where: bonds (distance) C4'-P energy: -149.623 bonds (distance) P-C4' energy: -138.671 flat angles C4'-P-C4' energy: -113.071 flat angles P-C4'-P energy: -129.341 tors. eta vs tors. theta energy: -68.802 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: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -610.667422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.667422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.667422 (E_RNA) where: Base-Base interactions energy: -11.160 where: short stacking energy: -11.160 Base-Backbone interact. energy: -0.000 local terms energy: -599.507178 where: bonds (distance) C4'-P energy: -149.623 bonds (distance) P-C4' energy: -138.671 flat angles C4'-P-C4' energy: -113.071 flat angles P-C4'-P energy: -129.341 tors. eta vs tors. theta energy: -68.802 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: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -610.667422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.667422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.667422 (E_RNA) where: Base-Base interactions energy: -11.160 where: short stacking energy: -11.160 Base-Backbone interact. energy: -0.000 local terms energy: -599.507178 where: bonds (distance) C4'-P energy: -149.623 bonds (distance) P-C4' energy: -138.671 flat angles C4'-P-C4' energy: -113.071 flat angles P-C4'-P energy: -129.341 tors. eta vs tors. theta energy: -68.802 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: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -610.667422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.667422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.667422 (E_RNA) where: Base-Base interactions energy: -11.160 where: short stacking energy: -11.160 Base-Backbone interact. energy: -0.000 local terms energy: -599.507178 where: bonds (distance) C4'-P energy: -149.623 bonds (distance) P-C4' energy: -138.671 flat angles C4'-P-C4' energy: -113.071 flat angles P-C4'-P energy: -129.341 tors. eta vs tors. theta energy: -68.802 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: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -610.667422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.667422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.667422 (E_RNA) where: Base-Base interactions energy: -11.160 where: short stacking energy: -11.160 Base-Backbone interact. energy: -0.000 local terms energy: -599.507178 where: bonds (distance) C4'-P energy: -149.623 bonds (distance) P-C4' energy: -138.671 flat angles C4'-P-C4' energy: -113.071 flat angles P-C4'-P energy: -129.341 tors. eta vs tors. theta energy: -68.802 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: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -610.667422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.667422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.667422 (E_RNA) where: Base-Base interactions energy: -11.160 where: short stacking energy: -11.160 Base-Backbone interact. energy: -0.000 local terms energy: -599.507178 where: bonds (distance) C4'-P energy: -149.623 bonds (distance) P-C4' energy: -138.671 flat angles C4'-P-C4' energy: -113.071 flat angles P-C4'-P energy: -129.341 tors. eta vs tors. theta energy: -68.802 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: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -610.667422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.667422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.667422 (E_RNA) where: Base-Base interactions energy: -11.160 where: short stacking energy: -11.160 Base-Backbone interact. energy: -0.000 local terms energy: -599.507178 where: bonds (distance) C4'-P energy: -149.623 bonds (distance) P-C4' energy: -138.671 flat angles C4'-P-C4' energy: -113.071 flat angles P-C4'-P energy: -129.341 tors. eta vs tors. theta energy: -68.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -610.667422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.667422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.667422 (E_RNA) where: Base-Base interactions energy: -11.160 where: short stacking energy: -11.160 Base-Backbone interact. energy: -0.000 local terms energy: -599.507178 where: bonds (distance) C4'-P energy: -149.623 bonds (distance) P-C4' energy: -138.671 flat angles C4'-P-C4' energy: -113.071 flat angles P-C4'-P energy: -129.341 tors. eta vs tors. theta energy: -68.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -610.667422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.667422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.667422 (E_RNA) where: Base-Base interactions energy: -11.160 where: short stacking energy: -11.160 Base-Backbone interact. energy: -0.000 local terms energy: -599.507178 where: bonds (distance) C4'-P energy: -149.623 bonds (distance) P-C4' energy: -138.671 flat angles C4'-P-C4' energy: -113.071 flat angles P-C4'-P energy: -129.341 tors. eta vs tors. theta energy: -68.802 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: 2 Temperature: 0.900000 Total energy: -753.643752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.643752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.643752 (E_RNA) where: Base-Base interactions energy: -300.177 where: short stacking energy: -299.874 Base-Backbone interact. energy: -0.314 local terms energy: -453.152792 where: bonds (distance) C4'-P energy: -103.689 bonds (distance) P-C4' energy: -86.809 flat angles C4'-P-C4' energy: -113.720 flat angles P-C4'-P energy: -68.921 tors. eta vs tors. theta energy: -80.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -719.337015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.337015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.337015 (E_RNA) where: Base-Base interactions energy: -312.995 where: short stacking energy: -300.357 Base-Backbone interact. energy: 0.113 local terms energy: -406.454957 where: bonds (distance) C4'-P energy: -92.569 bonds (distance) P-C4' energy: -93.798 flat angles C4'-P-C4' energy: -85.425 flat angles P-C4'-P energy: -55.200 tors. eta vs tors. theta energy: -79.463 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: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -656.338738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.338738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.338738 (E_RNA) where: Base-Base interactions energy: -245.942 where: short stacking energy: -239.812 Base-Backbone interact. energy: 0.629 local terms energy: -411.025992 where: bonds (distance) C4'-P energy: -88.635 bonds (distance) P-C4' energy: -105.160 flat angles C4'-P-C4' energy: -94.432 flat angles P-C4'-P energy: -66.253 tors. eta vs tors. theta energy: -56.546 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: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -615.687280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.687280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.687280 (E_RNA) where: Base-Base interactions energy: -56.874 where: short stacking energy: -56.874 Base-Backbone interact. energy: -0.000 local terms energy: -558.813500 where: bonds (distance) C4'-P energy: -129.801 bonds (distance) P-C4' energy: -118.198 flat angles C4'-P-C4' energy: -113.324 flat angles P-C4'-P energy: -121.489 tors. eta vs tors. theta energy: -76.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -608.480892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.480892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.480892 (E_RNA) where: Base-Base interactions energy: -12.573 where: short stacking energy: -12.573 Base-Backbone interact. energy: -0.000 local terms energy: -595.908161 where: bonds (distance) C4'-P energy: -148.770 bonds (distance) P-C4' energy: -135.929 flat angles C4'-P-C4' energy: -113.129 flat angles P-C4'-P energy: -129.030 tors. eta vs tors. theta energy: -69.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -609.338003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.338003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.338003 (E_RNA) where: Base-Base interactions energy: -18.914 where: short stacking energy: -18.914 Base-Backbone interact. energy: -0.000 local terms energy: -590.424161 where: bonds (distance) C4'-P energy: -146.377 bonds (distance) P-C4' energy: -133.942 flat angles C4'-P-C4' energy: -111.425 flat angles P-C4'-P energy: -128.251 tors. eta vs tors. theta energy: -70.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -608.283269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.283269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.283269 (E_RNA) where: Base-Base interactions energy: -12.570 where: short stacking energy: -12.570 Base-Backbone interact. energy: -0.000 local terms energy: -595.713167 where: bonds (distance) C4'-P energy: -148.770 bonds (distance) P-C4' energy: -135.929 flat angles C4'-P-C4' energy: -112.934 flat angles P-C4'-P energy: -129.030 tors. eta vs tors. theta energy: -69.051 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: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -611.587743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.587743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.587743 (E_RNA) where: Base-Base interactions energy: -27.439 where: short stacking energy: -27.439 Base-Backbone interact. energy: -0.000 local terms energy: -584.148178 where: bonds (distance) C4'-P energy: -144.150 bonds (distance) P-C4' energy: -129.366 flat angles C4'-P-C4' energy: -113.087 flat angles P-C4'-P energy: -127.263 tors. eta vs tors. theta energy: -70.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -608.136365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.136365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.136365 (E_RNA) where: Base-Base interactions energy: -12.567 where: short stacking energy: -12.567 Base-Backbone interact. energy: -0.000 local terms energy: -595.569040 where: bonds (distance) C4'-P energy: -148.770 bonds (distance) P-C4' energy: -135.929 flat angles C4'-P-C4' energy: -112.934 flat angles P-C4'-P energy: -129.030 tors. eta vs tors. theta energy: -68.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -607.974397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.974397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.974397 (E_RNA) where: Base-Base interactions energy: -12.566 where: short stacking energy: -12.566 Base-Backbone interact. energy: -0.000 local terms energy: -595.408536 where: bonds (distance) C4'-P energy: -148.770 bonds (distance) P-C4' energy: -135.929 flat angles C4'-P-C4' energy: -112.773 flat angles P-C4'-P energy: -129.030 tors. eta vs tors. theta energy: -68.907 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: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -823.874517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.874517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.874517 (E_RNA) where: Base-Base interactions energy: -354.469 where: short stacking energy: -317.949 Base-Backbone interact. energy: -0.891 local terms energy: -468.514414 where: bonds (distance) C4'-P energy: -99.206 bonds (distance) P-C4' energy: -103.422 flat angles C4'-P-C4' energy: -102.588 flat angles P-C4'-P energy: -72.556 tors. eta vs tors. theta energy: -90.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -765.999464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.999464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.999464 (E_RNA) where: Base-Base interactions energy: -330.711 where: short stacking energy: -298.562 Base-Backbone interact. energy: -0.453 local terms energy: -434.836056 where: bonds (distance) C4'-P energy: -102.658 bonds (distance) P-C4' energy: -105.197 flat angles C4'-P-C4' energy: -88.248 flat angles P-C4'-P energy: -57.392 tors. eta vs tors. theta energy: -81.342 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: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -680.301056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.301056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.301056 (E_RNA) where: Base-Base interactions energy: -281.060 where: short stacking energy: -249.199 Base-Backbone interact. energy: -0.645 local terms energy: -398.595532 where: bonds (distance) C4'-P energy: -99.980 bonds (distance) P-C4' energy: -93.518 flat angles C4'-P-C4' energy: -88.101 flat angles P-C4'-P energy: -55.161 tors. eta vs tors. theta energy: -61.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -649.078003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.078003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.078003 (E_RNA) where: Base-Base interactions energy: -281.301 where: short stacking energy: -246.146 Base-Backbone interact. energy: -0.345 local terms energy: -367.432099 where: bonds (distance) C4'-P energy: -85.765 bonds (distance) P-C4' energy: -90.560 flat angles C4'-P-C4' energy: -87.575 flat angles P-C4'-P energy: -59.575 tors. eta vs tors. theta energy: -43.957 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: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -592.297053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.297053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.297053 (E_RNA) where: Base-Base interactions energy: -251.131 where: short stacking energy: -186.534 Base-Backbone interact. energy: -1.763 local terms energy: -339.403839 where: bonds (distance) C4'-P energy: -95.575 bonds (distance) P-C4' energy: -92.926 flat angles C4'-P-C4' energy: -87.276 flat angles P-C4'-P energy: -40.839 tors. eta vs tors. theta energy: -22.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -520.306880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.306880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.306880 (E_RNA) where: Base-Base interactions energy: -195.339 where: short stacking energy: -170.246 Base-Backbone interact. energy: -1.241 local terms energy: -323.727290 where: bonds (distance) C4'-P energy: -73.213 bonds (distance) P-C4' energy: -87.834 flat angles C4'-P-C4' energy: -88.811 flat angles P-C4'-P energy: -46.260 tors. eta vs tors. theta energy: -27.609 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: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -504.077099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.077099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.077099 (E_RNA) where: Base-Base interactions energy: -212.643 where: short stacking energy: -184.499 Base-Backbone interact. energy: -1.210 local terms energy: -290.223618 where: bonds (distance) C4'-P energy: -75.194 bonds (distance) P-C4' energy: -81.429 flat angles C4'-P-C4' energy: -81.703 flat angles P-C4'-P energy: -37.807 tors. eta vs tors. theta energy: -14.091 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: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -432.870920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.870920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.870920 (E_RNA) where: Base-Base interactions energy: -135.914 where: short stacking energy: -124.789 Base-Backbone interact. energy: 0.002 local terms energy: -296.958463 where: bonds (distance) C4'-P energy: -93.211 bonds (distance) P-C4' energy: -97.158 flat angles C4'-P-C4' energy: -56.174 flat angles P-C4'-P energy: -36.205 tors. eta vs tors. theta energy: -14.210 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: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -399.872175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.872175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.872175 (E_RNA) where: Base-Base interactions energy: -120.420 where: short stacking energy: -100.095 Base-Backbone interact. energy: 1.139 local terms energy: -280.590728 where: bonds (distance) C4'-P energy: -72.826 bonds (distance) P-C4' energy: -88.920 flat angles C4'-P-C4' energy: -68.637 flat angles P-C4'-P energy: -48.532 tors. eta vs tors. theta energy: -1.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -379.426617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.426617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.426617 (E_RNA) where: Base-Base interactions energy: -139.297 where: short stacking energy: -119.594 Base-Backbone interact. energy: -1.794 local terms energy: -238.335820 where: bonds (distance) C4'-P energy: -80.340 bonds (distance) P-C4' energy: -74.912 flat angles C4'-P-C4' energy: -74.888 flat angles P-C4'-P energy: -23.668 tors. eta vs tors. theta energy: 15.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -848.106850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.106850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.106850 (E_RNA) where: Base-Base interactions energy: -393.007 where: short stacking energy: -316.659 Base-Backbone interact. energy: -0.342 local terms energy: -454.757934 where: bonds (distance) C4'-P energy: -104.777 bonds (distance) P-C4' energy: -96.028 flat angles C4'-P-C4' energy: -106.778 flat angles P-C4'-P energy: -74.295 tors. eta vs tors. theta energy: -72.880 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: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -787.597046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.597046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.597046 (E_RNA) where: Base-Base interactions energy: -359.258 where: short stacking energy: -331.938 Base-Backbone interact. energy: -0.021 local terms energy: -428.317748 where: bonds (distance) C4'-P energy: -89.943 bonds (distance) P-C4' energy: -93.343 flat angles C4'-P-C4' energy: -94.134 flat angles P-C4'-P energy: -64.316 tors. eta vs tors. theta energy: -86.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -789.925472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.925472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.925472 (E_RNA) where: Base-Base interactions energy: -416.537 where: short stacking energy: -293.323 Base-Backbone interact. energy: 1.705 local terms energy: -375.093710 where: bonds (distance) C4'-P energy: -78.597 bonds (distance) P-C4' energy: -92.761 flat angles C4'-P-C4' energy: -76.668 flat angles P-C4'-P energy: -58.212 tors. eta vs tors. theta energy: -68.856 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: 3 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -648.935425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.935425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.935425 (E_RNA) where: Base-Base interactions energy: -280.586 where: short stacking energy: -184.920 Base-Backbone interact. energy: 0.577 local terms energy: -368.926751 where: bonds (distance) C4'-P energy: -94.518 bonds (distance) P-C4' energy: -101.528 flat angles C4'-P-C4' energy: -91.349 flat angles P-C4'-P energy: -54.959 tors. eta vs tors. theta energy: -26.573 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: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -744.751642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.751642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.751642 (E_RNA) where: Base-Base interactions energy: -408.356 where: short stacking energy: -205.424 Base-Backbone interact. energy: -2.483 local terms energy: -333.912795 where: bonds (distance) C4'-P energy: -94.415 bonds (distance) P-C4' energy: -94.251 flat angles C4'-P-C4' energy: -67.941 flat angles P-C4'-P energy: -46.616 tors. eta vs tors. theta energy: -30.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -569.575250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.575250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.575250 (E_RNA) where: Base-Base interactions energy: -250.496 where: short stacking energy: -168.567 Base-Backbone interact. energy: -0.534 local terms energy: -318.545882 where: bonds (distance) C4'-P energy: -73.793 bonds (distance) P-C4' energy: -86.320 flat angles C4'-P-C4' energy: -93.605 flat angles P-C4'-P energy: -55.825 tors. eta vs tors. theta energy: -9.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -568.703956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.703956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.703956 (E_RNA) where: Base-Base interactions energy: -283.960 where: short stacking energy: -160.255 Base-Backbone interact. energy: 0.644 local terms energy: -285.388126 where: bonds (distance) C4'-P energy: -85.000 bonds (distance) P-C4' energy: -83.046 flat angles C4'-P-C4' energy: -61.275 flat angles P-C4'-P energy: -47.222 tors. eta vs tors. theta energy: -8.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -443.080817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.080817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.080817 (E_RNA) where: Base-Base interactions energy: -157.017 where: short stacking energy: -122.295 Base-Backbone interact. energy: -0.475 local terms energy: -285.589241 where: bonds (distance) C4'-P energy: -92.060 bonds (distance) P-C4' energy: -92.986 flat angles C4'-P-C4' energy: -82.157 flat angles P-C4'-P energy: -37.957 tors. eta vs tors. theta energy: 19.572 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: 8 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -413.460351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.460351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.460351 (E_RNA) where: Base-Base interactions energy: -157.138 where: short stacking energy: -106.225 Base-Backbone interact. energy: 0.703 local terms energy: -257.025457 where: bonds (distance) C4'-P energy: -79.774 bonds (distance) P-C4' energy: -77.157 flat angles C4'-P-C4' energy: -66.717 flat angles P-C4'-P energy: -51.660 tors. eta vs tors. theta energy: 18.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -370.929042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.929042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.929042 (E_RNA) where: Base-Base interactions energy: -129.747 where: short stacking energy: -105.810 Base-Backbone interact. energy: -0.834 local terms energy: -240.348191 where: bonds (distance) C4'-P energy: -72.483 bonds (distance) P-C4' energy: -69.662 flat angles C4'-P-C4' energy: -69.968 flat angles P-C4'-P energy: -46.134 tors. eta vs tors. theta energy: 17.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -848.507954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.507954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.507954 (E_RNA) where: Base-Base interactions energy: -398.779 where: short stacking energy: -324.021 Base-Backbone interact. energy: 0.779 local terms energy: -450.508428 where: bonds (distance) C4'-P energy: -98.963 bonds (distance) P-C4' energy: -103.850 flat angles C4'-P-C4' energy: -103.438 flat angles P-C4'-P energy: -70.214 tors. eta vs tors. theta energy: -74.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -898.103580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.103580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.103580 (E_RNA) where: Base-Base interactions energy: -462.301 where: short stacking energy: -329.521 Base-Backbone interact. energy: -1.154 local terms energy: -434.648278 where: bonds (distance) C4'-P energy: -85.515 bonds (distance) P-C4' energy: -85.784 flat angles C4'-P-C4' energy: -108.609 flat angles P-C4'-P energy: -60.462 tors. eta vs tors. theta energy: -94.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -734.800005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.800005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.800005 (E_RNA) where: Base-Base interactions energy: -323.762 where: short stacking energy: -277.110 Base-Backbone interact. energy: -0.605 local terms energy: -410.433595 where: bonds (distance) C4'-P energy: -92.072 bonds (distance) P-C4' energy: -83.274 flat angles C4'-P-C4' energy: -95.336 flat angles P-C4'-P energy: -76.564 tors. eta vs tors. theta energy: -63.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -855.899472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.899472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.899472 (E_RNA) where: Base-Base interactions energy: -494.662 where: short stacking energy: -244.376 Base-Backbone interact. energy: -4.056 local terms energy: -357.181143 where: bonds (distance) C4'-P energy: -92.445 bonds (distance) P-C4' energy: -81.729 flat angles C4'-P-C4' energy: -89.090 flat angles P-C4'-P energy: -56.862 tors. eta vs tors. theta energy: -37.055 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: 3 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -651.913574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.913574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.913574 (E_RNA) where: Base-Base interactions energy: -320.948 where: short stacking energy: -206.093 Base-Backbone interact. energy: -3.454 local terms energy: -327.511958 where: bonds (distance) C4'-P energy: -93.530 bonds (distance) P-C4' energy: -88.901 flat angles C4'-P-C4' energy: -79.282 flat angles P-C4'-P energy: -38.343 tors. eta vs tors. theta energy: -27.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -661.320375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.320375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.320375 (E_RNA) where: Base-Base interactions energy: -336.717 where: short stacking energy: -188.138 Base-Backbone interact. energy: -1.689 local terms energy: -322.914083 where: bonds (distance) C4'-P energy: -77.664 bonds (distance) P-C4' energy: -91.847 flat angles C4'-P-C4' energy: -83.652 flat angles P-C4'-P energy: -54.266 tors. eta vs tors. theta energy: -15.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -682.122489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.122489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.122489 (E_RNA) where: Base-Base interactions energy: -352.652 where: short stacking energy: -184.160 Base-Backbone interact. energy: -0.363 local terms energy: -329.107254 where: bonds (distance) C4'-P energy: -87.563 bonds (distance) P-C4' energy: -75.014 flat angles C4'-P-C4' energy: -80.512 flat angles P-C4'-P energy: -55.047 tors. eta vs tors. theta energy: -30.971 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: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -469.393094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.393094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.393094 (E_RNA) where: Base-Base interactions energy: -204.014 where: short stacking energy: -143.246 Base-Backbone interact. energy: 1.283 local terms energy: -266.662306 where: bonds (distance) C4'-P energy: -72.572 bonds (distance) P-C4' energy: -87.186 flat angles C4'-P-C4' energy: -63.995 flat angles P-C4'-P energy: -36.065 tors. eta vs tors. theta energy: -6.845 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: 9 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -404.426510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.426510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.426510 (E_RNA) where: Base-Base interactions energy: -150.919 where: short stacking energy: -114.674 Base-Backbone interact. energy: -0.089 local terms energy: -253.418525 where: bonds (distance) C4'-P energy: -67.773 bonds (distance) P-C4' energy: -89.902 flat angles C4'-P-C4' energy: -60.230 flat angles P-C4'-P energy: -41.019 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: 10, replica: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -401.360979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.360979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.360979 (E_RNA) where: Base-Base interactions energy: -172.076 where: short stacking energy: -118.875 Base-Backbone interact. energy: -0.931 local terms energy: -228.354430 where: bonds (distance) C4'-P energy: -76.503 bonds (distance) P-C4' energy: -76.627 flat angles C4'-P-C4' energy: -56.679 flat angles P-C4'-P energy: -39.497 tors. eta vs tors. theta energy: 20.952 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: 4 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1021.907300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.907300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.907300 (E_RNA) where: Base-Base interactions energy: -561.193 where: short stacking energy: -361.294 Base-Backbone interact. energy: -0.097 local terms energy: -460.617731 where: bonds (distance) C4'-P energy: -91.186 bonds (distance) P-C4' energy: -96.196 flat angles C4'-P-C4' energy: -101.484 flat angles P-C4'-P energy: -78.672 tors. eta vs tors. theta energy: -93.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -837.030309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.030309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.030309 (E_RNA) where: Base-Base interactions energy: -386.915 where: short stacking energy: -290.344 Base-Backbone interact. energy: -1.270 local terms energy: -448.845545 where: bonds (distance) C4'-P energy: -98.191 bonds (distance) P-C4' energy: -105.512 flat angles C4'-P-C4' energy: -102.632 flat angles P-C4'-P energy: -62.649 tors. eta vs tors. theta energy: -79.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -947.046581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.046581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.046581 (E_RNA) where: Base-Base interactions energy: -581.993 where: short stacking energy: -276.306 Base-Backbone interact. energy: -1.672 local terms energy: -363.381875 where: bonds (distance) C4'-P energy: -81.317 bonds (distance) P-C4' energy: -87.310 flat angles C4'-P-C4' energy: -94.580 flat angles P-C4'-P energy: -58.581 tors. eta vs tors. theta energy: -41.594 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: 4, replica: 2 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -649.028235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.028235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.028235 (E_RNA) where: Base-Base interactions energy: -284.631 where: short stacking energy: -215.446 Base-Backbone interact. energy: -1.041 local terms energy: -363.356174 where: bonds (distance) C4'-P energy: -92.585 bonds (distance) P-C4' energy: -95.454 flat angles C4'-P-C4' energy: -80.888 flat angles P-C4'-P energy: -54.856 tors. eta vs tors. theta energy: -39.573 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: 6 Temperature: 1.100000 Total energy: -908.892933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.892933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.892933 (E_RNA) where: Base-Base interactions energy: -541.395 where: short stacking energy: -246.504 Base-Backbone interact. energy: -0.675 local terms energy: -366.822394 where: bonds (distance) C4'-P energy: -86.290 bonds (distance) P-C4' energy: -90.462 flat angles C4'-P-C4' energy: -82.927 flat angles P-C4'-P energy: -60.234 tors. eta vs tors. theta energy: -46.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -652.465155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.465155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.465155 (E_RNA) where: Base-Base interactions energy: -331.878 where: short stacking energy: -191.553 Base-Backbone interact. energy: 0.619 local terms energy: -321.206408 where: bonds (distance) C4'-P energy: -78.039 bonds (distance) P-C4' energy: -81.690 flat angles C4'-P-C4' energy: -84.556 flat angles P-C4'-P energy: -56.111 tors. eta vs tors. theta energy: -20.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -686.434319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.434319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.434319 (E_RNA) where: Base-Base interactions energy: -365.059 where: short stacking energy: -196.672 Base-Backbone interact. energy: -2.134 local terms energy: -319.241390 where: bonds (distance) C4'-P energy: -78.671 bonds (distance) P-C4' energy: -86.816 flat angles C4'-P-C4' energy: -86.064 flat angles P-C4'-P energy: -45.568 tors. eta vs tors. theta energy: -22.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -481.507759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.507759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.507759 (E_RNA) where: Base-Base interactions energy: -230.804 where: short stacking energy: -121.732 Base-Backbone interact. energy: 2.923 local terms energy: -253.626143 where: bonds (distance) C4'-P energy: -78.964 bonds (distance) P-C4' energy: -75.788 flat angles C4'-P-C4' energy: -67.181 flat angles P-C4'-P energy: -47.286 tors. eta vs tors. theta energy: 15.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -409.233755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.233755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.233755 (E_RNA) where: Base-Base interactions energy: -154.018 where: short stacking energy: -108.356 Base-Backbone interact. energy: 0.819 local terms energy: -256.034629 where: bonds (distance) C4'-P energy: -76.539 bonds (distance) P-C4' energy: -87.210 flat angles C4'-P-C4' energy: -65.550 flat angles P-C4'-P energy: -44.774 tors. eta vs tors. theta energy: 18.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -386.398399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.398399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.398399 (E_RNA) where: Base-Base interactions energy: -132.542 where: short stacking energy: -109.695 Base-Backbone interact. energy: -1.905 local terms energy: -251.952127 where: bonds (distance) C4'-P energy: -62.613 bonds (distance) P-C4' energy: -84.649 flat angles C4'-P-C4' energy: -71.323 flat angles P-C4'-P energy: -34.437 tors. eta vs tors. theta energy: 1.069 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: 4 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1039.048624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.048624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.048624 (E_RNA) where: Base-Base interactions energy: -600.893 where: short stacking energy: -349.269 Base-Backbone interact. energy: 1.986 local terms energy: -440.141505 where: bonds (distance) C4'-P energy: -96.421 bonds (distance) P-C4' energy: -91.553 flat angles C4'-P-C4' energy: -97.230 flat angles P-C4'-P energy: -69.195 tors. eta vs tors. theta energy: -85.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1084.758783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.758783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.758783 (E_RNA) where: Base-Base interactions energy: -662.061 where: short stacking energy: -324.817 Base-Backbone interact. energy: -1.073 local terms energy: -421.625336 where: bonds (distance) C4'-P energy: -89.683 bonds (distance) P-C4' energy: -94.143 flat angles C4'-P-C4' energy: -92.473 flat angles P-C4'-P energy: -70.871 tors. eta vs tors. theta energy: -74.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -830.105205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.105205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.105205 (E_RNA) where: Base-Base interactions energy: -412.645 where: short stacking energy: -280.583 Base-Backbone interact. energy: 1.617 local terms energy: -419.076808 where: bonds (distance) C4'-P energy: -80.198 bonds (distance) P-C4' energy: -96.842 flat angles C4'-P-C4' energy: -103.230 flat angles P-C4'-P energy: -62.022 tors. eta vs tors. theta energy: -76.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1012.565633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.565633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.565633 (E_RNA) where: Base-Base interactions energy: -637.674 where: short stacking energy: -307.998 Base-Backbone interact. energy: 1.103 local terms energy: -375.995102 where: bonds (distance) C4'-P energy: -85.914 bonds (distance) P-C4' energy: -86.450 flat angles C4'-P-C4' energy: -83.305 flat angles P-C4'-P energy: -54.318 tors. eta vs tors. theta energy: -66.008 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: 2 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -619.743230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.743230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.743230 (E_RNA) where: Base-Base interactions energy: -272.882 where: short stacking energy: -202.086 Base-Backbone interact. energy: -1.336 local terms energy: -345.525072 where: bonds (distance) C4'-P energy: -94.527 bonds (distance) P-C4' energy: -81.833 flat angles C4'-P-C4' energy: -87.271 flat angles P-C4'-P energy: -61.759 tors. eta vs tors. theta energy: -20.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -873.659209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.659209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.659209 (E_RNA) where: Base-Base interactions energy: -524.014 where: short stacking energy: -248.778 Base-Backbone interact. energy: -0.787 local terms energy: -348.858158 where: bonds (distance) C4'-P energy: -83.594 bonds (distance) P-C4' energy: -97.261 flat angles C4'-P-C4' energy: -68.909 flat angles P-C4'-P energy: -41.794 tors. eta vs tors. theta energy: -57.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -678.122528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.122528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.122528 (E_RNA) where: Base-Base interactions energy: -349.698 where: short stacking energy: -184.162 Base-Backbone interact. energy: -2.066 local terms energy: -326.358651 where: bonds (distance) C4'-P energy: -90.506 bonds (distance) P-C4' energy: -93.955 flat angles C4'-P-C4' energy: -74.179 flat angles P-C4'-P energy: -39.510 tors. eta vs tors. theta energy: -28.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -552.765264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.765264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.765264 (E_RNA) where: Base-Base interactions energy: -284.174 where: short stacking energy: -149.151 Base-Backbone interact. energy: 4.994 local terms energy: -273.585052 where: bonds (distance) C4'-P energy: -69.468 bonds (distance) P-C4' energy: -86.946 flat angles C4'-P-C4' energy: -88.482 flat angles P-C4'-P energy: -32.573 tors. eta vs tors. theta energy: 3.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -445.524064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.524064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.524064 (E_RNA) where: Base-Base interactions energy: -166.713 where: short stacking energy: -135.194 Base-Backbone interact. energy: -2.547 local terms energy: -276.264280 where: bonds (distance) C4'-P energy: -69.892 bonds (distance) P-C4' energy: -82.807 flat angles C4'-P-C4' energy: -78.219 flat angles P-C4'-P energy: -49.365 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: 10, replica: 9 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -367.397431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.397431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.397431 (E_RNA) where: Base-Base interactions energy: -135.190 where: short stacking energy: -80.084 Base-Backbone interact. energy: 3.207 local terms energy: -235.414326 where: bonds (distance) C4'-P energy: -78.191 bonds (distance) P-C4' energy: -85.642 flat angles C4'-P-C4' energy: -57.912 flat angles P-C4'-P energy: -29.601 tors. eta vs tors. theta energy: 15.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1061.459182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.459182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.459182 (E_RNA) where: Base-Base interactions energy: -604.625 where: short stacking energy: -336.375 Base-Backbone interact. energy: -0.988 local terms energy: -455.846170 where: bonds (distance) C4'-P energy: -94.856 bonds (distance) P-C4' energy: -102.798 flat angles C4'-P-C4' energy: -101.027 flat angles P-C4'-P energy: -70.299 tors. eta vs tors. theta energy: -86.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1079.783205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.783205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.783205 (E_RNA) where: Base-Base interactions energy: -662.007 where: short stacking energy: -311.021 Base-Backbone interact. energy: -0.496 local terms energy: -417.280542 where: bonds (distance) C4'-P energy: -93.320 bonds (distance) P-C4' energy: -96.035 flat angles C4'-P-C4' energy: -92.248 flat angles P-C4'-P energy: -65.237 tors. eta vs tors. theta energy: -70.440 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: 8 Temperature: 1.000000 Total energy: -1063.764225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.764225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.764225 (E_RNA) where: Base-Base interactions energy: -639.804 where: short stacking energy: -290.639 Base-Backbone interact. energy: -0.896 local terms energy: -423.064796 where: bonds (distance) C4'-P energy: -101.205 bonds (distance) P-C4' energy: -98.018 flat angles C4'-P-C4' energy: -93.421 flat angles P-C4'-P energy: -65.749 tors. eta vs tors. theta energy: -64.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -860.224209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.224209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.224209 (E_RNA) where: Base-Base interactions energy: -470.025 where: short stacking energy: -276.769 Base-Backbone interact. energy: -3.063 local terms energy: -387.135767 where: bonds (distance) C4'-P energy: -83.516 bonds (distance) P-C4' energy: -87.055 flat angles C4'-P-C4' energy: -86.930 flat angles P-C4'-P energy: -55.454 tors. eta vs tors. theta energy: -74.181 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: 7 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -949.106581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.106581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.106581 (E_RNA) where: Base-Base interactions energy: -564.189 where: short stacking energy: -261.011 Base-Backbone interact. energy: -2.398 local terms energy: -382.519879 where: bonds (distance) C4'-P energy: -104.190 bonds (distance) P-C4' energy: -87.135 flat angles C4'-P-C4' energy: -82.412 flat angles P-C4'-P energy: -63.665 tors. eta vs tors. theta energy: -45.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -622.241170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.241170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.241170 (E_RNA) where: Base-Base interactions energy: -308.818 where: short stacking energy: -198.371 Base-Backbone interact. energy: -0.536 local terms energy: -312.887159 where: bonds (distance) C4'-P energy: -80.326 bonds (distance) P-C4' energy: -79.220 flat angles C4'-P-C4' energy: -80.307 flat angles P-C4'-P energy: -50.821 tors. eta vs tors. theta energy: -22.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -590.128805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.128805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.128805 (E_RNA) where: Base-Base interactions energy: -290.540 where: short stacking energy: -171.830 Base-Backbone interact. energy: 2.879 local terms energy: -302.468068 where: bonds (distance) C4'-P energy: -82.583 bonds (distance) P-C4' energy: -78.608 flat angles C4'-P-C4' energy: -79.056 flat angles P-C4'-P energy: -55.175 tors. eta vs tors. theta energy: -7.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -586.974218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.974218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.974218 (E_RNA) where: Base-Base interactions energy: -279.035 where: short stacking energy: -142.008 Base-Backbone interact. energy: -1.766 local terms energy: -306.173753 where: bonds (distance) C4'-P energy: -77.215 bonds (distance) P-C4' energy: -80.992 flat angles C4'-P-C4' energy: -88.542 flat angles P-C4'-P energy: -41.744 tors. eta vs tors. theta energy: -17.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -393.952271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.952271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.952271 (E_RNA) where: Base-Base interactions energy: -149.647 where: short stacking energy: -111.269 Base-Backbone interact. energy: -1.583 local terms energy: -242.722109 where: bonds (distance) C4'-P energy: -61.192 bonds (distance) P-C4' energy: -80.226 flat angles C4'-P-C4' energy: -82.234 flat angles P-C4'-P energy: -31.636 tors. eta vs tors. theta energy: 12.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -363.628304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.628304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.628304 (E_RNA) where: Base-Base interactions energy: -123.264 where: short stacking energy: -108.215 Base-Backbone interact. energy: 4.141 local terms energy: -244.505517 where: bonds (distance) C4'-P energy: -72.189 bonds (distance) P-C4' energy: -78.666 flat angles C4'-P-C4' energy: -64.810 flat angles P-C4'-P energy: -37.257 tors. eta vs tors. theta energy: 8.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1082.536626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.536626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.536626 (E_RNA) where: Base-Base interactions energy: -638.393 where: short stacking energy: -334.418 Base-Backbone interact. energy: 1.058 local terms energy: -445.201582 where: bonds (distance) C4'-P energy: -103.212 bonds (distance) P-C4' energy: -92.046 flat angles C4'-P-C4' energy: -102.294 flat angles P-C4'-P energy: -73.515 tors. eta vs tors. theta energy: -74.135 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: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1159.875876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.875876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.875876 (E_RNA) where: Base-Base interactions energy: -730.048 where: short stacking energy: -333.504 Base-Backbone interact. energy: -1.916 local terms energy: -427.912069 where: bonds (distance) C4'-P energy: -89.526 bonds (distance) P-C4' energy: -95.583 flat angles C4'-P-C4' energy: -96.693 flat angles P-C4'-P energy: -69.774 tors. eta vs tors. theta energy: -76.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1008.164775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.164775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.164775 (E_RNA) where: Base-Base interactions energy: -614.584 where: short stacking energy: -284.276 Base-Backbone interact. energy: -4.797 local terms energy: -388.783660 where: bonds (distance) C4'-P energy: -76.334 bonds (distance) P-C4' energy: -99.839 flat angles C4'-P-C4' energy: -83.564 flat angles P-C4'-P energy: -61.485 tors. eta vs tors. theta energy: -67.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1146.778557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.778557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.778557 (E_RNA) where: Base-Base interactions energy: -766.441 where: short stacking energy: -338.327 Base-Backbone interact. energy: -1.351 local terms energy: -378.986664 where: bonds (distance) C4'-P energy: -73.641 bonds (distance) P-C4' energy: -85.514 flat angles C4'-P-C4' energy: -76.128 flat angles P-C4'-P energy: -58.295 tors. eta vs tors. theta energy: -85.409 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: 1 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -796.471111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.471111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.471111 (E_RNA) where: Base-Base interactions energy: -420.053 where: short stacking energy: -239.105 Base-Backbone interact. energy: 2.107 local terms energy: -378.525093 where: bonds (distance) C4'-P energy: -80.159 bonds (distance) P-C4' energy: -89.988 flat angles C4'-P-C4' energy: -95.298 flat angles P-C4'-P energy: -53.968 tors. eta vs tors. theta energy: -59.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -636.636024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.636024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.636024 (E_RNA) where: Base-Base interactions energy: -312.790 where: short stacking energy: -194.417 Base-Backbone interact. energy: -1.572 local terms energy: -322.274327 where: bonds (distance) C4'-P energy: -69.314 bonds (distance) P-C4' energy: -87.900 flat angles C4'-P-C4' energy: -82.462 flat angles P-C4'-P energy: -63.530 tors. eta vs tors. theta energy: -19.068 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: 8 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -584.066114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.066114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.066114 (E_RNA) where: Base-Base interactions energy: -269.416 where: short stacking energy: -177.799 Base-Backbone interact. energy: -3.341 local terms energy: -311.308698 where: bonds (distance) C4'-P energy: -78.811 bonds (distance) P-C4' energy: -91.010 flat angles C4'-P-C4' energy: -74.246 flat angles P-C4'-P energy: -43.075 tors. eta vs tors. theta energy: -24.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -548.485832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.485832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.485832 (E_RNA) where: Base-Base interactions energy: -263.852 where: short stacking energy: -174.001 Base-Backbone interact. energy: 0.116 local terms energy: -284.750205 where: bonds (distance) C4'-P energy: -66.726 bonds (distance) P-C4' energy: -82.323 flat angles C4'-P-C4' energy: -66.199 flat angles P-C4'-P energy: -60.139 tors. eta vs tors. theta energy: -9.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -405.801338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.801338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.801338 (E_RNA) where: Base-Base interactions energy: -162.010 where: short stacking energy: -135.816 Base-Backbone interact. energy: -0.592 local terms energy: -243.199832 where: bonds (distance) C4'-P energy: -75.044 bonds (distance) P-C4' energy: -80.435 flat angles C4'-P-C4' energy: -69.454 flat angles P-C4'-P energy: -35.774 tors. eta vs tors. theta energy: 17.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -341.634096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -341.634096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -341.634096 (E_RNA) where: Base-Base interactions energy: -98.697 where: short stacking energy: -96.237 Base-Backbone interact. energy: 3.443 local terms energy: -246.379889 where: bonds (distance) C4'-P energy: -67.857 bonds (distance) P-C4' energy: -75.345 flat angles C4'-P-C4' energy: -66.507 flat angles P-C4'-P energy: -53.032 tors. eta vs tors. theta energy: 16.361 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: 3 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1200.675755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.675755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.675755 (E_RNA) where: Base-Base interactions energy: -755.216 where: short stacking energy: -347.330 Base-Backbone interact. energy: 2.463 local terms energy: -447.922943 where: bonds (distance) C4'-P energy: -103.216 bonds (distance) P-C4' energy: -86.960 flat angles C4'-P-C4' energy: -98.490 flat angles P-C4'-P energy: -77.656 tors. eta vs tors. theta energy: -81.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1094.753256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.753256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.753256 (E_RNA) where: Base-Base interactions energy: -689.839 where: short stacking energy: -338.713 Base-Backbone interact. energy: -1.557 local terms energy: -403.357528 where: bonds (distance) C4'-P energy: -94.214 bonds (distance) P-C4' energy: -85.896 flat angles C4'-P-C4' energy: -97.338 flat angles P-C4'-P energy: -52.989 tors. eta vs tors. theta energy: -72.920 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: 7 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1313.291175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.291175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.291175 (E_RNA) where: Base-Base interactions energy: -848.186 where: short stacking energy: -390.502 Base-Backbone interact. energy: -3.399 local terms energy: -461.706429 where: bonds (distance) C4'-P energy: -80.921 bonds (distance) P-C4' energy: -100.538 flat angles C4'-P-C4' energy: -103.391 flat angles P-C4'-P energy: -65.460 tors. eta vs tors. theta energy: -111.397 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: 5 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -992.893582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.893582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.893582 (E_RNA) where: Base-Base interactions energy: -594.311 where: short stacking energy: -305.429 Base-Backbone interact. energy: -1.937 local terms energy: -396.645750 where: bonds (distance) C4'-P energy: -83.644 bonds (distance) P-C4' energy: -100.405 flat angles C4'-P-C4' energy: -83.988 flat angles P-C4'-P energy: -61.641 tors. eta vs tors. theta energy: -66.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -850.084379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.084379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.084379 (E_RNA) where: Base-Base interactions energy: -480.324 where: short stacking energy: -246.912 Base-Backbone interact. energy: -3.509 local terms energy: -366.251377 where: bonds (distance) C4'-P energy: -76.358 bonds (distance) P-C4' energy: -88.583 flat angles C4'-P-C4' energy: -97.569 flat angles P-C4'-P energy: -55.346 tors. eta vs tors. theta energy: -48.396 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: 2 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -644.743872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.743872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.743872 (E_RNA) where: Base-Base interactions energy: -315.604 where: short stacking energy: -189.962 Base-Backbone interact. energy: -0.196 local terms energy: -328.943940 where: bonds (distance) C4'-P energy: -104.928 bonds (distance) P-C4' energy: -91.561 flat angles C4'-P-C4' energy: -69.964 flat angles P-C4'-P energy: -38.961 tors. eta vs tors. theta energy: -23.529 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: 8 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -621.343157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.343157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.343157 (E_RNA) where: Base-Base interactions energy: -331.445 where: short stacking energy: -189.356 Base-Backbone interact. energy: -1.587 local terms energy: -288.310594 where: bonds (distance) C4'-P energy: -80.848 bonds (distance) P-C4' energy: -80.370 flat angles C4'-P-C4' energy: -69.634 flat angles P-C4'-P energy: -30.794 tors. eta vs tors. theta energy: -26.665 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: 6 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -582.126196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.126196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.126196 (E_RNA) where: Base-Base interactions energy: -290.828 where: short stacking energy: -157.893 Base-Backbone interact. energy: -1.446 local terms energy: -289.851562 where: bonds (distance) C4'-P energy: -93.900 bonds (distance) P-C4' energy: -85.081 flat angles C4'-P-C4' energy: -61.063 flat angles P-C4'-P energy: -46.571 tors. eta vs tors. theta energy: -3.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -410.192819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.192819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.192819 (E_RNA) where: Base-Base interactions energy: -183.954 where: short stacking energy: -146.852 Base-Backbone interact. energy: 10.650 local terms energy: -236.889694 where: bonds (distance) C4'-P energy: -69.530 bonds (distance) P-C4' energy: -67.234 flat angles C4'-P-C4' energy: -75.787 flat angles P-C4'-P energy: -28.745 tors. eta vs tors. theta energy: 4.407 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: 10, replica: 10 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -370.046075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.046075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.046075 (E_RNA) where: Base-Base interactions energy: -117.285 where: short stacking energy: -86.328 Base-Backbone interact. energy: 2.003 local terms energy: -254.763679 where: bonds (distance) C4'-P energy: -84.630 bonds (distance) P-C4' energy: -90.205 flat angles C4'-P-C4' energy: -55.055 flat angles P-C4'-P energy: -38.977 tors. eta vs tors. theta energy: 14.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1224.684428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.684428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.684428 (E_RNA) where: Base-Base interactions energy: -762.025 where: short stacking energy: -357.340 Base-Backbone interact. energy: 1.366 local terms energy: -464.025675 where: bonds (distance) C4'-P energy: -110.336 bonds (distance) P-C4' energy: -99.454 flat angles C4'-P-C4' energy: -106.425 flat angles P-C4'-P energy: -62.456 tors. eta vs tors. theta energy: -85.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1323.767710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.767710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.767710 (E_RNA) where: Base-Base interactions energy: -866.667 where: short stacking energy: -368.670 Base-Backbone interact. energy: -2.373 local terms energy: -454.727862 where: bonds (distance) C4'-P energy: -87.711 bonds (distance) P-C4' energy: -87.999 flat angles C4'-P-C4' energy: -105.632 flat angles P-C4'-P energy: -66.972 tors. eta vs tors. theta energy: -106.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1078.029083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.029083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.029083 (E_RNA) where: Base-Base interactions energy: -622.105 where: short stacking energy: -318.445 Base-Backbone interact. energy: -2.283 local terms energy: -453.640864 where: bonds (distance) C4'-P energy: -108.151 bonds (distance) P-C4' energy: -95.251 flat angles C4'-P-C4' energy: -104.681 flat angles P-C4'-P energy: -64.818 tors. eta vs tors. theta energy: -80.740 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: 5 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1075.750696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.750696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.750696 (E_RNA) where: Base-Base interactions energy: -659.321 where: short stacking energy: -331.762 Base-Backbone interact. energy: 1.196 local terms energy: -417.625863 where: bonds (distance) C4'-P energy: -81.252 bonds (distance) P-C4' energy: -92.671 flat angles C4'-P-C4' energy: -97.244 flat angles P-C4'-P energy: -62.393 tors. eta vs tors. theta energy: -84.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -813.528862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.528862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.528862 (E_RNA) where: Base-Base interactions energy: -431.992 where: short stacking energy: -247.171 Base-Backbone interact. energy: -0.706 local terms energy: -380.831432 where: bonds (distance) C4'-P energy: -79.344 bonds (distance) P-C4' energy: -96.546 flat angles C4'-P-C4' energy: -90.528 flat angles P-C4'-P energy: -58.446 tors. eta vs tors. theta energy: -55.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -780.185524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.185524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.185524 (E_RNA) where: Base-Base interactions energy: -432.184 where: short stacking energy: -231.204 Base-Backbone interact. energy: 0.312 local terms energy: -348.313768 where: bonds (distance) C4'-P energy: -81.134 bonds (distance) P-C4' energy: -79.352 flat angles C4'-P-C4' energy: -99.277 flat angles P-C4'-P energy: -54.379 tors. eta vs tors. theta energy: -34.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -664.385777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.385777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.385777 (E_RNA) where: Base-Base interactions energy: -339.266 where: short stacking energy: -195.163 Base-Backbone interact. energy: 0.294 local terms energy: -325.412952 where: bonds (distance) C4'-P energy: -87.392 bonds (distance) P-C4' energy: -86.825 flat angles C4'-P-C4' energy: -67.147 flat angles P-C4'-P energy: -56.429 tors. eta vs tors. theta energy: -27.620 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: 8, replica: 6 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -623.005445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.005445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.005445 (E_RNA) where: Base-Base interactions energy: -314.603 where: short stacking energy: -157.780 Base-Backbone interact. energy: 5.760 local terms energy: -314.163328 where: bonds (distance) C4'-P energy: -85.966 bonds (distance) P-C4' energy: -82.699 flat angles C4'-P-C4' energy: -79.593 flat angles P-C4'-P energy: -57.553 tors. eta vs tors. theta energy: -8.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -420.331555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.331555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.331555 (E_RNA) where: Base-Base interactions energy: -132.661 where: short stacking energy: -100.902 Base-Backbone interact. energy: 0.925 local terms energy: -288.595401 where: bonds (distance) C4'-P energy: -85.610 bonds (distance) P-C4' energy: -91.368 flat angles C4'-P-C4' energy: -70.369 flat angles P-C4'-P energy: -45.748 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: 10, replica: 10 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -348.232041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.232041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.232041 (E_RNA) where: Base-Base interactions energy: -102.819 where: short stacking energy: -87.590 Base-Backbone interact. energy: 4.096 local terms energy: -249.508871 where: bonds (distance) C4'-P energy: -82.103 bonds (distance) P-C4' energy: -88.016 flat angles C4'-P-C4' energy: -66.211 flat angles P-C4'-P energy: -43.802 tors. eta vs tors. theta energy: 30.623 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: 7 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1421.502274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.502274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.502274 (E_RNA) where: Base-Base interactions energy: -943.890 where: short stacking energy: -437.466 Base-Backbone interact. energy: -2.279 local terms energy: -475.332885 where: bonds (distance) C4'-P energy: -83.212 bonds (distance) P-C4' energy: -90.591 flat angles C4'-P-C4' energy: -109.234 flat angles P-C4'-P energy: -76.662 tors. eta vs tors. theta energy: -115.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1197.189604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.189604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.189604 (E_RNA) where: Base-Base interactions energy: -749.998 where: short stacking energy: -343.753 Base-Backbone interact. energy: -0.741 local terms energy: -446.450249 where: bonds (distance) C4'-P energy: -92.817 bonds (distance) P-C4' energy: -100.700 flat angles C4'-P-C4' energy: -93.385 flat angles P-C4'-P energy: -63.643 tors. eta vs tors. theta energy: -95.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1021.774703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.774703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.774703 (E_RNA) where: Base-Base interactions energy: -622.016 where: short stacking energy: -310.852 Base-Backbone interact. energy: -2.265 local terms energy: -397.493768 where: bonds (distance) C4'-P energy: -92.126 bonds (distance) P-C4' energy: -101.950 flat angles C4'-P-C4' energy: -89.516 flat angles P-C4'-P energy: -51.448 tors. eta vs tors. theta energy: -62.453 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: 5 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1052.139151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.139151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.139151 (E_RNA) where: Base-Base interactions energy: -642.541 where: short stacking energy: -306.298 Base-Backbone interact. energy: -1.599 local terms energy: -407.998518 where: bonds (distance) C4'-P energy: -90.278 bonds (distance) P-C4' energy: -82.951 flat angles C4'-P-C4' energy: -94.790 flat angles P-C4'-P energy: -50.726 tors. eta vs tors. theta energy: -89.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -850.723118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.723118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.723118 (E_RNA) where: Base-Base interactions energy: -499.732 where: short stacking energy: -229.430 Base-Backbone interact. energy: -1.653 local terms energy: -349.338079 where: bonds (distance) C4'-P energy: -91.685 bonds (distance) P-C4' energy: -87.550 flat angles C4'-P-C4' energy: -80.630 flat angles P-C4'-P energy: -53.140 tors. eta vs tors. theta energy: -36.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -765.255009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.255009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.255009 (E_RNA) where: Base-Base interactions energy: -400.560 where: short stacking energy: -219.564 Base-Backbone interact. energy: 3.873 local terms energy: -368.567668 where: bonds (distance) C4'-P energy: -102.285 bonds (distance) P-C4' energy: -97.114 flat angles C4'-P-C4' energy: -78.221 flat angles P-C4'-P energy: -50.959 tors. eta vs tors. theta energy: -39.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -772.049121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.049121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.049121 (E_RNA) where: Base-Base interactions energy: -395.232 where: short stacking energy: -216.640 Base-Backbone interact. energy: -1.727 local terms energy: -375.090110 where: bonds (distance) C4'-P energy: -86.195 bonds (distance) P-C4' energy: -96.072 flat angles C4'-P-C4' energy: -87.681 flat angles P-C4'-P energy: -57.556 tors. eta vs tors. theta energy: -47.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -652.921295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.921295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.921295 (E_RNA) where: Base-Base interactions energy: -354.063 where: short stacking energy: -188.606 Base-Backbone interact. energy: -3.256 local terms energy: -295.601754 where: bonds (distance) C4'-P energy: -78.699 bonds (distance) P-C4' energy: -94.465 flat angles C4'-P-C4' energy: -75.737 flat angles P-C4'-P energy: -30.020 tors. eta vs tors. theta energy: -16.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -421.881883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.881883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.881883 (E_RNA) where: Base-Base interactions energy: -148.805 where: short stacking energy: -101.101 Base-Backbone interact. energy: -1.608 local terms energy: -271.468592 where: bonds (distance) C4'-P energy: -84.451 bonds (distance) P-C4' energy: -83.781 flat angles C4'-P-C4' energy: -75.937 flat angles P-C4'-P energy: -47.960 tors. eta vs tors. theta energy: 20.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -381.589906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.589906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.589906 (E_RNA) where: Base-Base interactions energy: -127.754 where: short stacking energy: -105.314 Base-Backbone interact. energy: -0.330 local terms energy: -253.506064 where: bonds (distance) C4'-P energy: -69.132 bonds (distance) P-C4' energy: -89.878 flat angles C4'-P-C4' energy: -65.987 flat angles P-C4'-P energy: -43.778 tors. eta vs tors. theta energy: 15.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1422.371082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.371082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.371082 (E_RNA) where: Base-Base interactions energy: -927.014 where: short stacking energy: -442.906 Base-Backbone interact. energy: 0.739 local terms energy: -496.096205 where: bonds (distance) C4'-P energy: -102.242 bonds (distance) P-C4' energy: -102.022 flat angles C4'-P-C4' energy: -105.198 flat angles P-C4'-P energy: -67.163 tors. eta vs tors. theta energy: -119.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1213.792852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.792852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.792852 (E_RNA) where: Base-Base interactions energy: -767.427 where: short stacking energy: -373.847 Base-Backbone interact. energy: 1.707 local terms energy: -448.073227 where: bonds (distance) C4'-P energy: -92.897 bonds (distance) P-C4' energy: -101.407 flat angles C4'-P-C4' energy: -101.168 flat angles P-C4'-P energy: -62.122 tors. eta vs tors. theta energy: -90.479 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: 4 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1019.241922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.241922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.241922 (E_RNA) where: Base-Base interactions energy: -589.701 where: short stacking energy: -306.961 Base-Backbone interact. energy: 1.202 local terms energy: -430.742856 where: bonds (distance) C4'-P energy: -93.322 bonds (distance) P-C4' energy: -109.690 flat angles C4'-P-C4' energy: -102.524 flat angles P-C4'-P energy: -59.893 tors. eta vs tors. theta energy: -65.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1066.156126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.156126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.156126 (E_RNA) where: Base-Base interactions energy: -662.659 where: short stacking energy: -297.228 Base-Backbone interact. energy: -4.022 local terms energy: -399.475230 where: bonds (distance) C4'-P energy: -89.644 bonds (distance) P-C4' energy: -78.864 flat angles C4'-P-C4' energy: -93.559 flat angles P-C4'-P energy: -51.717 tors. eta vs tors. theta energy: -85.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -860.381577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.381577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.381577 (E_RNA) where: Base-Base interactions energy: -511.281 where: short stacking energy: -238.914 Base-Backbone interact. energy: -2.914 local terms energy: -346.186759 where: bonds (distance) C4'-P energy: -85.693 bonds (distance) P-C4' energy: -99.044 flat angles C4'-P-C4' energy: -73.024 flat angles P-C4'-P energy: -38.850 tors. eta vs tors. theta energy: -49.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -825.595138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.595138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.595138 (E_RNA) where: Base-Base interactions energy: -454.100 where: short stacking energy: -247.567 Base-Backbone interact. energy: -3.837 local terms energy: -367.657667 where: bonds (distance) C4'-P energy: -89.355 bonds (distance) P-C4' energy: -98.106 flat angles C4'-P-C4' energy: -79.240 flat angles P-C4'-P energy: -52.975 tors. eta vs tors. theta energy: -47.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -754.278070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.278070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.278070 (E_RNA) where: Base-Base interactions energy: -429.456 where: short stacking energy: -220.523 Base-Backbone interact. energy: -1.358 local terms energy: -323.464175 where: bonds (distance) C4'-P energy: -72.598 bonds (distance) P-C4' energy: -88.254 flat angles C4'-P-C4' energy: -81.286 flat angles P-C4'-P energy: -43.554 tors. eta vs tors. theta energy: -37.772 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: 8, replica: 6 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -651.170147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.170147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.170147 (E_RNA) where: Base-Base interactions energy: -370.524 where: short stacking energy: -160.945 Base-Backbone interact. energy: 4.097 local terms energy: -284.742178 where: bonds (distance) C4'-P energy: -85.960 bonds (distance) P-C4' energy: -73.964 flat angles C4'-P-C4' energy: -65.828 flat angles P-C4'-P energy: -42.270 tors. eta vs tors. theta energy: -16.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -500.567421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.567421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.567421 (E_RNA) where: Base-Base interactions energy: -220.683 where: short stacking energy: -134.605 Base-Backbone interact. energy: -3.306 local terms energy: -276.578981 where: bonds (distance) C4'-P energy: -71.668 bonds (distance) P-C4' energy: -85.485 flat angles C4'-P-C4' energy: -56.575 flat angles P-C4'-P energy: -52.650 tors. eta vs tors. theta energy: -10.201 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: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -365.028330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.028330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.028330 (E_RNA) where: Base-Base interactions energy: -127.893 where: short stacking energy: -94.719 Base-Backbone interact. energy: -1.094 local terms energy: -236.041597 where: bonds (distance) C4'-P energy: -70.585 bonds (distance) P-C4' energy: -79.370 flat angles C4'-P-C4' energy: -59.217 flat angles P-C4'-P energy: -39.337 tors. eta vs tors. theta energy: 12.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1427.863342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.863342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.863342 (E_RNA) where: Base-Base interactions energy: -941.775 where: short stacking energy: -415.269 Base-Backbone interact. energy: -1.233 local terms energy: -484.855391 where: bonds (distance) C4'-P energy: -93.036 bonds (distance) P-C4' energy: -101.903 flat angles C4'-P-C4' energy: -113.010 flat angles P-C4'-P energy: -54.286 tors. eta vs tors. theta energy: -122.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1265.420196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.420196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.420196 (E_RNA) where: Base-Base interactions energy: -815.493 where: short stacking energy: -386.740 Base-Backbone interact. energy: -0.620 local terms energy: -449.306773 where: bonds (distance) C4'-P energy: -88.785 bonds (distance) P-C4' energy: -94.793 flat angles C4'-P-C4' energy: -103.479 flat angles P-C4'-P energy: -63.321 tors. eta vs tors. theta energy: -98.928 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: 14 Temperature: 1.000000 Total energy: -1115.971088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.971088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.971088 (E_RNA) where: Base-Base interactions energy: -701.045 where: short stacking energy: -344.512 Base-Backbone interact. energy: -0.349 local terms energy: -414.576571 where: bonds (distance) C4'-P energy: -81.237 bonds (distance) P-C4' energy: -87.633 flat angles C4'-P-C4' energy: -88.881 flat angles P-C4'-P energy: -64.335 tors. eta vs tors. theta energy: -92.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -979.566138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.566138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.566138 (E_RNA) where: Base-Base interactions energy: -569.389 where: short stacking energy: -296.248 Base-Backbone interact. energy: 2.785 local terms energy: -412.962070 where: bonds (distance) C4'-P energy: -92.629 bonds (distance) P-C4' energy: -108.547 flat angles C4'-P-C4' energy: -72.918 flat angles P-C4'-P energy: -62.645 tors. eta vs tors. theta energy: -76.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -887.084318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.084318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.084318 (E_RNA) where: Base-Base interactions energy: -518.926 where: short stacking energy: -250.390 Base-Backbone interact. energy: -1.152 local terms energy: -367.005472 where: bonds (distance) C4'-P energy: -95.313 bonds (distance) P-C4' energy: -90.999 flat angles C4'-P-C4' energy: -91.979 flat angles P-C4'-P energy: -50.177 tors. eta vs tors. theta energy: -38.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -804.408151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.408151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.408151 (E_RNA) where: Base-Base interactions energy: -502.842 where: short stacking energy: -251.281 Base-Backbone interact. energy: -0.566 local terms energy: -301.000630 where: bonds (distance) C4'-P energy: -64.186 bonds (distance) P-C4' energy: -61.204 flat angles C4'-P-C4' energy: -69.960 flat angles P-C4'-P energy: -51.633 tors. eta vs tors. theta energy: -54.017 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: 2 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -797.540635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.540635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.540635 (E_RNA) where: Base-Base interactions energy: -470.878 where: short stacking energy: -223.691 Base-Backbone interact. energy: -0.504 local terms energy: -326.158171 where: bonds (distance) C4'-P energy: -78.956 bonds (distance) P-C4' energy: -84.274 flat angles C4'-P-C4' energy: -88.359 flat angles P-C4'-P energy: -42.938 tors. eta vs tors. theta energy: -31.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -637.560689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.560689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.560689 (E_RNA) where: Base-Base interactions energy: -362.017 where: short stacking energy: -175.358 Base-Backbone interact. energy: -2.691 local terms energy: -272.852409 where: bonds (distance) C4'-P energy: -80.613 bonds (distance) P-C4' energy: -75.831 flat angles C4'-P-C4' energy: -66.169 flat angles P-C4'-P energy: -39.691 tors. eta vs tors. theta energy: -10.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -505.025587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.025587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.025587 (E_RNA) where: Base-Base interactions energy: -248.216 where: short stacking energy: -129.327 Base-Backbone interact. energy: 2.293 local terms energy: -259.103104 where: bonds (distance) C4'-P energy: -79.130 bonds (distance) P-C4' energy: -76.999 flat angles C4'-P-C4' energy: -76.891 flat angles P-C4'-P energy: -40.427 tors. eta vs tors. theta energy: 14.343 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: 10 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -354.333632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.333632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.333632 (E_RNA) where: Base-Base interactions energy: -124.219 where: short stacking energy: -100.820 Base-Backbone interact. energy: 0.681 local terms energy: -230.795582 where: bonds (distance) C4'-P energy: -83.457 bonds (distance) P-C4' energy: -75.065 flat angles C4'-P-C4' energy: -55.561 flat angles P-C4'-P energy: -29.722 tors. eta vs tors. theta energy: 13.009 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: 7 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1442.940181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.940181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.940181 (E_RNA) where: Base-Base interactions energy: -942.130 where: short stacking energy: -426.839 Base-Backbone interact. energy: 0.296 local terms energy: -501.105902 where: bonds (distance) C4'-P energy: -107.768 bonds (distance) P-C4' energy: -96.056 flat angles C4'-P-C4' energy: -108.751 flat angles P-C4'-P energy: -71.527 tors. eta vs tors. theta energy: -117.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1295.821413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.821413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.821413 (E_RNA) where: Base-Base interactions energy: -843.177 where: short stacking energy: -391.620 Base-Backbone interact. energy: 0.793 local terms energy: -453.436573 where: bonds (distance) C4'-P energy: -90.304 bonds (distance) P-C4' energy: -85.014 flat angles C4'-P-C4' energy: -100.293 flat angles P-C4'-P energy: -67.822 tors. eta vs tors. theta energy: -110.004 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: 3, replica: 5 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1193.794489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.794489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.794489 (E_RNA) where: Base-Base interactions energy: -737.775 where: short stacking energy: -376.206 Base-Backbone interact. energy: -2.853 local terms energy: -453.166452 where: bonds (distance) C4'-P energy: -91.909 bonds (distance) P-C4' energy: -87.525 flat angles C4'-P-C4' energy: -102.815 flat angles P-C4'-P energy: -66.193 tors. eta vs tors. theta energy: -104.724 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: 4 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -999.068392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.068392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.068392 (E_RNA) where: Base-Base interactions energy: -598.279 where: short stacking energy: -294.845 Base-Backbone interact. energy: -0.798 local terms energy: -399.991820 where: bonds (distance) C4'-P energy: -82.039 bonds (distance) P-C4' energy: -94.580 flat angles C4'-P-C4' energy: -97.698 flat angles P-C4'-P energy: -63.810 tors. eta vs tors. theta energy: -61.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -993.700580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.700580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.700580 (E_RNA) where: Base-Base interactions energy: -595.560 where: short stacking energy: -285.697 Base-Backbone interact. energy: -1.164 local terms energy: -396.977016 where: bonds (distance) C4'-P energy: -90.462 bonds (distance) P-C4' energy: -90.122 flat angles C4'-P-C4' energy: -90.437 flat angles P-C4'-P energy: -58.641 tors. eta vs tors. theta energy: -67.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -792.879773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.879773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.879773 (E_RNA) where: Base-Base interactions energy: -444.275 where: short stacking energy: -228.637 Base-Backbone interact. energy: -0.651 local terms energy: -347.953493 where: bonds (distance) C4'-P energy: -90.969 bonds (distance) P-C4' energy: -90.740 flat angles C4'-P-C4' energy: -69.726 flat angles P-C4'-P energy: -48.575 tors. eta vs tors. theta energy: -47.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -757.442800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.442800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.442800 (E_RNA) where: Base-Base interactions energy: -425.723 where: short stacking energy: -219.944 Base-Backbone interact. energy: 1.837 local terms energy: -333.557533 where: bonds (distance) C4'-P energy: -84.455 bonds (distance) P-C4' energy: -76.408 flat angles C4'-P-C4' energy: -81.801 flat angles P-C4'-P energy: -36.820 tors. eta vs tors. theta energy: -54.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -650.748533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.748533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.748533 (E_RNA) where: Base-Base interactions energy: -339.325 where: short stacking energy: -198.605 Base-Backbone interact. energy: -2.364 local terms energy: -309.058885 where: bonds (distance) C4'-P energy: -82.989 bonds (distance) P-C4' energy: -71.114 flat angles C4'-P-C4' energy: -88.276 flat angles P-C4'-P energy: -48.503 tors. eta vs tors. theta energy: -18.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -546.999535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.999535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.999535 (E_RNA) where: Base-Base interactions energy: -247.091 where: short stacking energy: -158.691 Base-Backbone interact. energy: 1.705 local terms energy: -301.613662 where: bonds (distance) C4'-P energy: -80.716 bonds (distance) P-C4' energy: -84.430 flat angles C4'-P-C4' energy: -76.475 flat angles P-C4'-P energy: -53.076 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: 10, replica: 10 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -411.584120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.584120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.584120 (E_RNA) where: Base-Base interactions energy: -146.966 where: short stacking energy: -133.632 Base-Backbone interact. energy: 1.475 local terms energy: -266.093006 where: bonds (distance) C4'-P energy: -69.606 bonds (distance) P-C4' energy: -85.446 flat angles C4'-P-C4' energy: -71.553 flat angles P-C4'-P energy: -45.858 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: 1, replica: 7 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1473.104732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.104732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.104732 (E_RNA) where: Base-Base interactions energy: -972.150 where: short stacking energy: -439.539 Base-Backbone interact. energy: -1.765 local terms energy: -499.189971 where: bonds (distance) C4'-P energy: -107.626 bonds (distance) P-C4' energy: -94.334 flat angles C4'-P-C4' energy: -100.618 flat angles P-C4'-P energy: -68.046 tors. eta vs tors. theta energy: -128.566 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: 3 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1375.271709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.271709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.271709 (E_RNA) where: Base-Base interactions energy: -905.033 where: short stacking energy: -437.373 Base-Backbone interact. energy: -0.104 local terms energy: -470.135194 where: bonds (distance) C4'-P energy: -91.717 bonds (distance) P-C4' energy: -93.955 flat angles C4'-P-C4' energy: -101.275 flat angles P-C4'-P energy: -71.448 tors. eta vs tors. theta energy: -111.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1162.046514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.046514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.046514 (E_RNA) where: Base-Base interactions energy: -733.560 where: short stacking energy: -379.701 Base-Backbone interact. energy: -0.941 local terms energy: -427.545950 where: bonds (distance) C4'-P energy: -80.900 bonds (distance) P-C4' energy: -93.002 flat angles C4'-P-C4' energy: -94.867 flat angles P-C4'-P energy: -52.278 tors. eta vs tors. theta energy: -106.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1024.878027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.878027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.878027 (E_RNA) where: Base-Base interactions energy: -624.239 where: short stacking energy: -294.482 Base-Backbone interact. energy: 0.290 local terms energy: -400.929944 where: bonds (distance) C4'-P energy: -84.600 bonds (distance) P-C4' energy: -94.401 flat angles C4'-P-C4' energy: -97.295 flat angles P-C4'-P energy: -53.279 tors. eta vs tors. theta energy: -71.355 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: 5, replica: 1 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -915.074797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.074797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.074797 (E_RNA) where: Base-Base interactions energy: -537.881 where: short stacking energy: -279.365 Base-Backbone interact. energy: -2.229 local terms energy: -374.964773 where: bonds (distance) C4'-P energy: -69.722 bonds (distance) P-C4' energy: -97.603 flat angles C4'-P-C4' energy: -79.516 flat angles P-C4'-P energy: -63.287 tors. eta vs tors. theta energy: -64.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -843.868138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.868138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.868138 (E_RNA) where: Base-Base interactions energy: -499.288 where: short stacking energy: -236.058 Base-Backbone interact. energy: -2.551 local terms energy: -342.028977 where: bonds (distance) C4'-P energy: -83.305 bonds (distance) P-C4' energy: -87.104 flat angles C4'-P-C4' energy: -83.217 flat angles P-C4'-P energy: -44.682 tors. eta vs tors. theta energy: -43.720 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: 8 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -754.047878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.047878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.047878 (E_RNA) where: Base-Base interactions energy: -414.837 where: short stacking energy: -225.681 Base-Backbone interact. energy: -1.171 local terms energy: -338.039772 where: bonds (distance) C4'-P energy: -83.547 bonds (distance) P-C4' energy: -86.172 flat angles C4'-P-C4' energy: -83.692 flat angles P-C4'-P energy: -45.582 tors. eta vs tors. theta energy: -39.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -631.435931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.435931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.435931 (E_RNA) where: Base-Base interactions energy: -331.001 where: short stacking energy: -180.489 Base-Backbone interact. energy: -2.768 local terms energy: -297.666483 where: bonds (distance) C4'-P energy: -70.196 bonds (distance) P-C4' energy: -94.614 flat angles C4'-P-C4' energy: -81.692 flat angles P-C4'-P energy: -35.194 tors. eta vs tors. theta energy: -15.970 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: 9 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -680.783613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.783613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.783613 (E_RNA) where: Base-Base interactions energy: -378.570 where: short stacking energy: -173.896 Base-Backbone interact. energy: -0.793 local terms energy: -301.420735 where: bonds (distance) C4'-P energy: -87.674 bonds (distance) P-C4' energy: -94.284 flat angles C4'-P-C4' energy: -61.180 flat angles P-C4'-P energy: -35.633 tors. eta vs tors. theta energy: -22.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -387.810646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.810646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.810646 (E_RNA) where: Base-Base interactions energy: -133.847 where: short stacking energy: -94.319 Base-Backbone interact. energy: 3.159 local terms energy: -257.123375 where: bonds (distance) C4'-P energy: -74.311 bonds (distance) P-C4' energy: -85.787 flat angles C4'-P-C4' energy: -63.431 flat angles P-C4'-P energy: -51.142 tors. eta vs tors. theta energy: 17.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1511.483246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.483246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.483246 (E_RNA) where: Base-Base interactions energy: -991.501 where: short stacking energy: -424.813 Base-Backbone interact. energy: 1.707 local terms energy: -521.689737 where: bonds (distance) C4'-P energy: -101.410 bonds (distance) P-C4' energy: -107.924 flat angles C4'-P-C4' energy: -110.238 flat angles P-C4'-P energy: -82.378 tors. eta vs tors. theta energy: -119.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1384.664752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.664752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.664752 (E_RNA) where: Base-Base interactions energy: -904.841 where: short stacking energy: -419.306 Base-Backbone interact. energy: -0.435 local terms energy: -479.388260 where: bonds (distance) C4'-P energy: -97.428 bonds (distance) P-C4' energy: -87.358 flat angles C4'-P-C4' energy: -110.264 flat angles P-C4'-P energy: -62.813 tors. eta vs tors. theta energy: -121.526 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: 3, replica: 5 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1133.719729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.719729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.719729 (E_RNA) where: Base-Base interactions energy: -708.087 where: short stacking energy: -325.095 Base-Backbone interact. energy: -1.181 local terms energy: -424.452544 where: bonds (distance) C4'-P energy: -85.281 bonds (distance) P-C4' energy: -98.132 flat angles C4'-P-C4' energy: -100.328 flat angles P-C4'-P energy: -62.060 tors. eta vs tors. theta energy: -78.651 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: 4 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1113.394073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.394073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.394073 (E_RNA) where: Base-Base interactions energy: -715.846 where: short stacking energy: -319.708 Base-Backbone interact. energy: -2.288 local terms energy: -395.260224 where: bonds (distance) C4'-P energy: -79.852 bonds (distance) P-C4' energy: -89.770 flat angles C4'-P-C4' energy: -81.604 flat angles P-C4'-P energy: -68.127 tors. eta vs tors. theta energy: -75.907 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: 5, replica: 1 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -959.236572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.236572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.236572 (E_RNA) where: Base-Base interactions energy: -595.030 where: short stacking energy: -275.166 Base-Backbone interact. energy: -1.721 local terms energy: -362.485735 where: bonds (distance) C4'-P energy: -71.084 bonds (distance) P-C4' energy: -91.885 flat angles C4'-P-C4' energy: -74.158 flat angles P-C4'-P energy: -59.946 tors. eta vs tors. theta energy: -65.412 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: 6, replica: 2 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -934.033589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.033589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.033589 (E_RNA) where: Base-Base interactions energy: -578.701 where: short stacking energy: -273.940 Base-Backbone interact. energy: -2.469 local terms energy: -352.863303 where: bonds (distance) C4'-P energy: -79.804 bonds (distance) P-C4' energy: -81.357 flat angles C4'-P-C4' energy: -83.093 flat angles P-C4'-P energy: -44.628 tors. eta vs tors. theta energy: -63.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -728.848230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.848230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.848230 (E_RNA) where: Base-Base interactions energy: -395.993 where: short stacking energy: -210.533 Base-Backbone interact. energy: 3.419 local terms energy: -336.274466 where: bonds (distance) C4'-P energy: -80.794 bonds (distance) P-C4' energy: -85.113 flat angles C4'-P-C4' energy: -74.903 flat angles P-C4'-P energy: -58.121 tors. eta vs tors. theta energy: -37.344 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: 9 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -738.867418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.867418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.867418 (E_RNA) where: Base-Base interactions energy: -433.834 where: short stacking energy: -204.791 Base-Backbone interact. energy: -3.029 local terms energy: -302.004813 where: bonds (distance) C4'-P energy: -75.656 bonds (distance) P-C4' energy: -73.344 flat angles C4'-P-C4' energy: -80.769 flat angles P-C4'-P energy: -40.438 tors. eta vs tors. theta energy: -31.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -708.659010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.659010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.659010 (E_RNA) where: Base-Base interactions energy: -392.803 where: short stacking energy: -187.326 Base-Backbone interact. energy: -2.406 local terms energy: -313.450242 where: bonds (distance) C4'-P energy: -79.595 bonds (distance) P-C4' energy: -93.624 flat angles C4'-P-C4' energy: -80.218 flat angles P-C4'-P energy: -33.363 tors. eta vs tors. theta energy: -26.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -370.014215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.014215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.014215 (E_RNA) where: Base-Base interactions energy: -133.817 where: short stacking energy: -120.711 Base-Backbone interact. energy: 3.208 local terms energy: -239.405491 where: bonds (distance) C4'-P energy: -72.654 bonds (distance) P-C4' energy: -85.940 flat angles C4'-P-C4' energy: -68.482 flat angles P-C4'-P energy: -40.099 tors. eta vs tors. theta energy: 27.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1504.033916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.033916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.033916 (E_RNA) where: Base-Base interactions energy: -1012.164 where: short stacking energy: -416.491 Base-Backbone interact. energy: -0.935 local terms energy: -490.934459 where: bonds (distance) C4'-P energy: -105.215 bonds (distance) P-C4' energy: -91.664 flat angles C4'-P-C4' energy: -104.950 flat angles P-C4'-P energy: -69.954 tors. eta vs tors. theta energy: -119.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1338.410781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.410781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.410781 (E_RNA) where: Base-Base interactions energy: -836.842 where: short stacking energy: -435.837 Base-Backbone interact. energy: 0.453 local terms energy: -502.022368 where: bonds (distance) C4'-P energy: -96.679 bonds (distance) P-C4' energy: -92.576 flat angles C4'-P-C4' energy: -105.476 flat angles P-C4'-P energy: -75.846 tors. eta vs tors. theta energy: -131.445 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: 5 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1183.026192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.026192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.026192 (E_RNA) where: Base-Base interactions energy: -739.989 where: short stacking energy: -355.271 Base-Backbone interact. energy: -1.246 local terms energy: -441.791134 where: bonds (distance) C4'-P energy: -96.135 bonds (distance) P-C4' energy: -95.968 flat angles C4'-P-C4' energy: -99.600 flat angles P-C4'-P energy: -64.663 tors. eta vs tors. theta energy: -85.425 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: 4 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1180.307156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.307156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.307156 (E_RNA) where: Base-Base interactions energy: -759.931 where: short stacking energy: -327.077 Base-Backbone interact. energy: 0.023 local terms energy: -420.398818 where: bonds (distance) C4'-P energy: -79.711 bonds (distance) P-C4' energy: -94.108 flat angles C4'-P-C4' energy: -101.703 flat angles P-C4'-P energy: -65.143 tors. eta vs tors. theta energy: -79.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1095.707573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.707573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.707573 (E_RNA) where: Base-Base interactions energy: -687.849 where: short stacking energy: -317.471 Base-Backbone interact. energy: 2.307 local terms energy: -410.164833 where: bonds (distance) C4'-P energy: -90.003 bonds (distance) P-C4' energy: -89.569 flat angles C4'-P-C4' energy: -95.060 flat angles P-C4'-P energy: -58.309 tors. eta vs tors. theta energy: -77.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -952.580159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.580159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.580159 (E_RNA) where: Base-Base interactions energy: -590.908 where: short stacking energy: -292.701 Base-Backbone interact. energy: -0.844 local terms energy: -360.828900 where: bonds (distance) C4'-P energy: -75.641 bonds (distance) P-C4' energy: -81.249 flat angles C4'-P-C4' energy: -83.167 flat angles P-C4'-P energy: -52.359 tors. eta vs tors. theta energy: -68.413 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: 9 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -806.504580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.504580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.504580 (E_RNA) where: Base-Base interactions energy: -468.296 where: short stacking energy: -214.801 Base-Backbone interact. energy: -1.906 local terms energy: -336.302721 where: bonds (distance) C4'-P energy: -84.884 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -58.508 flat angles P-C4'-P energy: -59.786 tors. eta vs tors. theta energy: -41.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -700.232116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.232116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.232116 (E_RNA) where: Base-Base interactions energy: -391.507 where: short stacking energy: -197.752 Base-Backbone interact. energy: -3.033 local terms energy: -305.692480 where: bonds (distance) C4'-P energy: -77.880 bonds (distance) P-C4' energy: -81.156 flat angles C4'-P-C4' energy: -81.707 flat angles P-C4'-P energy: -37.901 tors. eta vs tors. theta energy: -27.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -716.365483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.365483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.365483 (E_RNA) where: Base-Base interactions energy: -416.529 where: short stacking energy: -185.558 Base-Backbone interact. energy: -0.948 local terms energy: -298.888580 where: bonds (distance) C4'-P energy: -71.045 bonds (distance) P-C4' energy: -91.178 flat angles C4'-P-C4' energy: -75.309 flat angles P-C4'-P energy: -44.159 tors. eta vs tors. theta energy: -17.197 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: 10 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -356.525523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.525523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.525523 (E_RNA) where: Base-Base interactions energy: -120.791 where: short stacking energy: -70.935 Base-Backbone interact. energy: 1.426 local terms energy: -237.161052 where: bonds (distance) C4'-P energy: -84.988 bonds (distance) P-C4' energy: -87.849 flat angles C4'-P-C4' energy: -49.872 flat angles P-C4'-P energy: -51.798 tors. eta vs tors. theta energy: 37.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1542.914174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.914174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.914174 (E_RNA) where: Base-Base interactions energy: -1032.141 where: short stacking energy: -425.389 Base-Backbone interact. energy: -2.967 local terms energy: -507.805675 where: bonds (distance) C4'-P energy: -94.260 bonds (distance) P-C4' energy: -106.788 flat angles C4'-P-C4' energy: -119.538 flat angles P-C4'-P energy: -78.112 tors. eta vs tors. theta energy: -109.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1369.181309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.181309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.181309 (E_RNA) where: Base-Base interactions energy: -885.514 where: short stacking energy: -408.799 Base-Backbone interact. energy: -1.974 local terms energy: -481.692876 where: bonds (distance) C4'-P energy: -92.889 bonds (distance) P-C4' energy: -94.713 flat angles C4'-P-C4' energy: -109.955 flat angles P-C4'-P energy: -73.228 tors. eta vs tors. theta energy: -110.908 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: 3, replica: 5 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1185.117921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.117921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.117921 (E_RNA) where: Base-Base interactions energy: -755.614 where: short stacking energy: -385.527 Base-Backbone interact. energy: -2.042 local terms energy: -427.461678 where: bonds (distance) C4'-P energy: -80.355 bonds (distance) P-C4' energy: -90.867 flat angles C4'-P-C4' energy: -95.514 flat angles P-C4'-P energy: -62.903 tors. eta vs tors. theta energy: -97.822 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: 4 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1141.005411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.005411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.005411 (E_RNA) where: Base-Base interactions energy: -729.691 where: short stacking energy: -324.170 Base-Backbone interact. energy: 1.420 local terms energy: -412.733975 where: bonds (distance) C4'-P energy: -90.137 bonds (distance) P-C4' energy: -93.052 flat angles C4'-P-C4' energy: -93.009 flat angles P-C4'-P energy: -63.040 tors. eta vs tors. theta energy: -73.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1139.941068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.941068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.941068 (E_RNA) where: Base-Base interactions energy: -721.714 where: short stacking energy: -330.704 Base-Backbone interact. energy: -0.513 local terms energy: -417.714240 where: bonds (distance) C4'-P energy: -89.910 bonds (distance) P-C4' energy: -83.285 flat angles C4'-P-C4' energy: -91.864 flat angles P-C4'-P energy: -64.088 tors. eta vs tors. theta energy: -88.567 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: 1 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -915.968610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.968610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.968610 (E_RNA) where: Base-Base interactions energy: -574.322 where: short stacking energy: -259.336 Base-Backbone interact. energy: -2.540 local terms energy: -339.106283 where: bonds (distance) C4'-P energy: -79.523 bonds (distance) P-C4' energy: -85.948 flat angles C4'-P-C4' energy: -89.476 flat angles P-C4'-P energy: -46.757 tors. eta vs tors. theta energy: -37.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -848.615094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.615094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.615094 (E_RNA) where: Base-Base interactions energy: -496.750 where: short stacking energy: -241.797 Base-Backbone interact. energy: -1.171 local terms energy: -350.693913 where: bonds (distance) C4'-P energy: -64.907 bonds (distance) P-C4' energy: -93.660 flat angles C4'-P-C4' energy: -86.839 flat angles P-C4'-P energy: -62.329 tors. eta vs tors. theta energy: -42.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -754.994269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.994269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.994269 (E_RNA) where: Base-Base interactions energy: -456.647 where: short stacking energy: -225.169 Base-Backbone interact. energy: 4.948 local terms energy: -303.295010 where: bonds (distance) C4'-P energy: -69.599 bonds (distance) P-C4' energy: -83.459 flat angles C4'-P-C4' energy: -69.137 flat angles P-C4'-P energy: -44.506 tors. eta vs tors. theta energy: -36.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -562.123324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.123324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.123324 (E_RNA) where: Base-Base interactions energy: -277.794 where: short stacking energy: -134.708 Base-Backbone interact. energy: -0.803 local terms energy: -283.526512 where: bonds (distance) C4'-P energy: -85.733 bonds (distance) P-C4' energy: -79.727 flat angles C4'-P-C4' energy: -69.977 flat angles P-C4'-P energy: -41.768 tors. eta vs tors. theta energy: -6.322 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: 10 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -377.060814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.060814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.060814 (E_RNA) where: Base-Base interactions energy: -124.875 where: short stacking energy: -114.103 Base-Backbone interact. energy: -1.950 local terms energy: -250.235745 where: bonds (distance) C4'-P energy: -65.950 bonds (distance) P-C4' energy: -72.639 flat angles C4'-P-C4' energy: -77.712 flat angles P-C4'-P energy: -52.265 tors. eta vs tors. theta energy: 18.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1537.110067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.110067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.110067 (E_RNA) where: Base-Base interactions energy: -1021.137 where: short stacking energy: -445.466 Base-Backbone interact. energy: -4.145 local terms energy: -511.827507 where: bonds (distance) C4'-P energy: -104.626 bonds (distance) P-C4' energy: -102.645 flat angles C4'-P-C4' energy: -110.022 flat angles P-C4'-P energy: -70.539 tors. eta vs tors. theta energy: -123.996 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: 3 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1322.596475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.596475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.596475 (E_RNA) where: Base-Base interactions energy: -844.735 where: short stacking energy: -410.560 Base-Backbone interact. energy: -1.605 local terms energy: -476.256576 where: bonds (distance) C4'-P energy: -87.083 bonds (distance) P-C4' energy: -102.436 flat angles C4'-P-C4' energy: -116.996 flat angles P-C4'-P energy: -63.294 tors. eta vs tors. theta energy: -106.448 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: 20 Temperature: 1.000000 Total energy: -1200.035385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.035385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.035385 (E_RNA) where: Base-Base interactions energy: -736.992 where: short stacking energy: -361.434 Base-Backbone interact. energy: -1.572 local terms energy: -461.471394 where: bonds (distance) C4'-P energy: -104.948 bonds (distance) P-C4' energy: -83.720 flat angles C4'-P-C4' energy: -107.348 flat angles P-C4'-P energy: -63.350 tors. eta vs tors. theta energy: -102.106 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: 4, replica: 4 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1198.661256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.661256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.661256 (E_RNA) where: Base-Base interactions energy: -783.494 where: short stacking energy: -330.312 Base-Backbone interact. energy: -1.550 local terms energy: -413.616543 where: bonds (distance) C4'-P energy: -86.783 bonds (distance) P-C4' energy: -94.668 flat angles C4'-P-C4' energy: -90.702 flat angles P-C4'-P energy: -60.208 tors. eta vs tors. theta energy: -81.256 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: 2 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1175.901449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.901449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.901449 (E_RNA) where: Base-Base interactions energy: -770.068 where: short stacking energy: -360.005 Base-Backbone interact. energy: 0.178 local terms energy: -406.011801 where: bonds (distance) C4'-P energy: -78.184 bonds (distance) P-C4' energy: -85.882 flat angles C4'-P-C4' energy: -100.156 flat angles P-C4'-P energy: -53.192 tors. eta vs tors. theta energy: -88.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -913.250675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.250675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.250675 (E_RNA) where: Base-Base interactions energy: -561.877 where: short stacking energy: -262.482 Base-Backbone interact. energy: -1.021 local terms energy: -350.352612 where: bonds (distance) C4'-P energy: -82.983 bonds (distance) P-C4' energy: -81.425 flat angles C4'-P-C4' energy: -87.844 flat angles P-C4'-P energy: -51.359 tors. eta vs tors. theta energy: -46.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -881.369300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.369300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.369300 (E_RNA) where: Base-Base interactions energy: -557.464 where: short stacking energy: -244.996 Base-Backbone interact. energy: -1.681 local terms energy: -322.224999 where: bonds (distance) C4'-P energy: -79.132 bonds (distance) P-C4' energy: -75.365 flat angles C4'-P-C4' energy: -67.261 flat angles P-C4'-P energy: -57.595 tors. eta vs tors. theta energy: -42.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -807.755545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.755545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.755545 (E_RNA) where: Base-Base interactions energy: -486.381 where: short stacking energy: -240.393 Base-Backbone interact. energy: 0.797 local terms energy: -322.171527 where: bonds (distance) C4'-P energy: -72.467 bonds (distance) P-C4' energy: -88.897 flat angles C4'-P-C4' energy: -74.409 flat angles P-C4'-P energy: -33.301 tors. eta vs tors. theta energy: -53.097 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: 20 Temperature: 1.300000 Total energy: -679.901001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.901001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.901001 (E_RNA) where: Base-Base interactions energy: -381.501 where: short stacking energy: -184.091 Base-Backbone interact. energy: 1.130 local terms energy: -299.530369 where: bonds (distance) C4'-P energy: -73.574 bonds (distance) P-C4' energy: -73.282 flat angles C4'-P-C4' energy: -78.486 flat angles P-C4'-P energy: -55.021 tors. eta vs tors. theta energy: -19.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -362.407982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.407982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.407982 (E_RNA) where: Base-Base interactions energy: -108.040 where: short stacking energy: -94.200 Base-Backbone interact. energy: 1.581 local terms energy: -255.948961 where: bonds (distance) C4'-P energy: -90.533 bonds (distance) P-C4' energy: -70.774 flat angles C4'-P-C4' energy: -64.133 flat angles P-C4'-P energy: -51.817 tors. eta vs tors. theta energy: 21.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1541.573318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.573318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.573318 (E_RNA) where: Base-Base interactions energy: -1055.362 where: short stacking energy: -441.335 Base-Backbone interact. energy: -0.015 local terms energy: -486.196777 where: bonds (distance) C4'-P energy: -95.008 bonds (distance) P-C4' energy: -90.099 flat angles C4'-P-C4' energy: -111.696 flat angles P-C4'-P energy: -71.660 tors. eta vs tors. theta energy: -117.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1350.333231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.333231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.333231 (E_RNA) where: Base-Base interactions energy: -887.244 where: short stacking energy: -408.554 Base-Backbone interact. energy: -0.866 local terms energy: -462.223196 where: bonds (distance) C4'-P energy: -81.225 bonds (distance) P-C4' energy: -100.476 flat angles C4'-P-C4' energy: -101.460 flat angles P-C4'-P energy: -65.354 tors. eta vs tors. theta energy: -113.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1183.620808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.620808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.620808 (E_RNA) where: Base-Base interactions energy: -745.699 where: short stacking energy: -357.945 Base-Backbone interact. energy: -2.744 local terms energy: -435.177433 where: bonds (distance) C4'-P energy: -88.930 bonds (distance) P-C4' energy: -100.492 flat angles C4'-P-C4' energy: -93.724 flat angles P-C4'-P energy: -56.023 tors. eta vs tors. theta energy: -96.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1252.233988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.233988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.233988 (E_RNA) where: Base-Base interactions energy: -821.026 where: short stacking energy: -374.808 Base-Backbone interact. energy: -2.564 local terms energy: -428.644005 where: bonds (distance) C4'-P energy: -88.951 bonds (distance) P-C4' energy: -88.295 flat angles C4'-P-C4' energy: -94.524 flat angles P-C4'-P energy: -68.249 tors. eta vs tors. theta energy: -88.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1155.225753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.225753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.225753 (E_RNA) where: Base-Base interactions energy: -759.045 where: short stacking energy: -316.272 Base-Backbone interact. energy: -0.389 local terms energy: -395.791264 where: bonds (distance) C4'-P energy: -83.588 bonds (distance) P-C4' energy: -109.230 flat angles C4'-P-C4' energy: -81.693 flat angles P-C4'-P energy: -53.214 tors. eta vs tors. theta energy: -68.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -956.580180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.580180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.580180 (E_RNA) where: Base-Base interactions energy: -593.337 where: short stacking energy: -264.838 Base-Backbone interact. energy: -0.748 local terms energy: -362.495525 where: bonds (distance) C4'-P energy: -87.875 bonds (distance) P-C4' energy: -89.364 flat angles C4'-P-C4' energy: -91.845 flat angles P-C4'-P energy: -36.540 tors. eta vs tors. theta energy: -56.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -873.913332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.913332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.913332 (E_RNA) where: Base-Base interactions energy: -553.220 where: short stacking energy: -267.674 Base-Backbone interact. energy: 0.173 local terms energy: -320.866204 where: bonds (distance) C4'-P energy: -69.648 bonds (distance) P-C4' energy: -85.759 flat angles C4'-P-C4' energy: -73.181 flat angles P-C4'-P energy: -43.271 tors. eta vs tors. theta energy: -49.008 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: 6 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -824.217783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.217783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.217783 (E_RNA) where: Base-Base interactions energy: -484.666 where: short stacking energy: -232.781 Base-Backbone interact. energy: -1.901 local terms energy: -337.651368 where: bonds (distance) C4'-P energy: -82.900 bonds (distance) P-C4' energy: -90.395 flat angles C4'-P-C4' energy: -84.619 flat angles P-C4'-P energy: -49.012 tors. eta vs tors. theta energy: -30.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -656.310459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.310459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.310459 (E_RNA) where: Base-Base interactions energy: -367.879 where: short stacking energy: -178.708 Base-Backbone interact. energy: -1.665 local terms energy: -286.766622 where: bonds (distance) C4'-P energy: -72.513 bonds (distance) P-C4' energy: -73.416 flat angles C4'-P-C4' energy: -71.397 flat angles P-C4'-P energy: -55.238 tors. eta vs tors. theta energy: -14.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -361.242351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.242351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.242351 (E_RNA) where: Base-Base interactions energy: -115.165 where: short stacking energy: -73.843 Base-Backbone interact. energy: 0.171 local terms energy: -246.248729 where: bonds (distance) C4'-P energy: -78.917 bonds (distance) P-C4' energy: -84.412 flat angles C4'-P-C4' energy: -64.085 flat angles P-C4'-P energy: -40.718 tors. eta vs tors. theta energy: 21.884 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: 7 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1511.384049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.384049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.384049 (E_RNA) where: Base-Base interactions energy: -1038.482 where: short stacking energy: -443.326 Base-Backbone interact. energy: -1.403 local terms energy: -471.499078 where: bonds (distance) C4'-P energy: -95.702 bonds (distance) P-C4' energy: -92.756 flat angles C4'-P-C4' energy: -97.106 flat angles P-C4'-P energy: -73.139 tors. eta vs tors. theta energy: -112.796 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: 3 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1376.017263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.017263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.017263 (E_RNA) where: Base-Base interactions energy: -908.338 where: short stacking energy: -401.354 Base-Backbone interact. energy: -0.131 local terms energy: -467.548003 where: bonds (distance) C4'-P energy: -95.029 bonds (distance) P-C4' energy: -96.441 flat angles C4'-P-C4' energy: -110.355 flat angles P-C4'-P energy: -69.814 tors. eta vs tors. theta energy: -95.910 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: 3, replica: 2 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1381.250609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.250609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.250609 (E_RNA) where: Base-Base interactions energy: -903.171 where: short stacking energy: -397.103 Base-Backbone interact. energy: -1.305 local terms energy: -476.774781 where: bonds (distance) C4'-P energy: -90.232 bonds (distance) P-C4' energy: -97.622 flat angles C4'-P-C4' energy: -108.053 flat angles P-C4'-P energy: -64.861 tors. eta vs tors. theta energy: -116.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1155.829881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.829881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.829881 (E_RNA) where: Base-Base interactions energy: -738.472 where: short stacking energy: -374.171 Base-Backbone interact. energy: -3.831 local terms energy: -413.526670 where: bonds (distance) C4'-P energy: -101.177 bonds (distance) P-C4' energy: -83.019 flat angles C4'-P-C4' energy: -89.938 flat angles P-C4'-P energy: -59.577 tors. eta vs tors. theta energy: -79.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1094.118012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.118012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.118012 (E_RNA) where: Base-Base interactions energy: -711.854 where: short stacking energy: -308.515 Base-Backbone interact. energy: 2.437 local terms energy: -384.701350 where: bonds (distance) C4'-P energy: -93.558 bonds (distance) P-C4' energy: -87.203 flat angles C4'-P-C4' energy: -72.841 flat angles P-C4'-P energy: -54.574 tors. eta vs tors. theta energy: -76.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -967.616433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.616433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.616433 (E_RNA) where: Base-Base interactions energy: -622.220 where: short stacking energy: -280.035 Base-Backbone interact. energy: -1.769 local terms energy: -343.626804 where: bonds (distance) C4'-P energy: -77.650 bonds (distance) P-C4' energy: -74.616 flat angles C4'-P-C4' energy: -86.533 flat angles P-C4'-P energy: -46.601 tors. eta vs tors. theta energy: -58.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -876.041561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.041561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.041561 (E_RNA) where: Base-Base interactions energy: -512.618 where: short stacking energy: -243.587 Base-Backbone interact. energy: -0.225 local terms energy: -363.198000 where: bonds (distance) C4'-P energy: -83.324 bonds (distance) P-C4' energy: -85.256 flat angles C4'-P-C4' energy: -83.551 flat angles P-C4'-P energy: -64.919 tors. eta vs tors. theta energy: -46.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -814.195525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.195525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.195525 (E_RNA) where: Base-Base interactions energy: -479.260 where: short stacking energy: -221.763 Base-Backbone interact. energy: -3.932 local terms energy: -331.003061 where: bonds (distance) C4'-P energy: -60.726 bonds (distance) P-C4' energy: -94.799 flat angles C4'-P-C4' energy: -89.655 flat angles P-C4'-P energy: -50.178 tors. eta vs tors. theta energy: -35.645 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: 8 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -653.769924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.769924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.769924 (E_RNA) where: Base-Base interactions energy: -363.421 where: short stacking energy: -183.630 Base-Backbone interact. energy: 0.585 local terms energy: -290.933092 where: bonds (distance) C4'-P energy: -75.946 bonds (distance) P-C4' energy: -86.012 flat angles C4'-P-C4' energy: -57.487 flat angles P-C4'-P energy: -54.928 tors. eta vs tors. theta energy: -16.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -380.615345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.615345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.615345 (E_RNA) where: Base-Base interactions energy: -148.451 where: short stacking energy: -106.657 Base-Backbone interact. energy: 3.188 local terms energy: -235.352807 where: bonds (distance) C4'-P energy: -68.373 bonds (distance) P-C4' energy: -82.523 flat angles C4'-P-C4' energy: -71.502 flat angles P-C4'-P energy: -36.263 tors. eta vs tors. theta energy: 23.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1550.198771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.198771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.198771 (E_RNA) where: Base-Base interactions energy: -1074.529 where: short stacking energy: -452.939 Base-Backbone interact. energy: -5.067 local terms energy: -470.602981 where: bonds (distance) C4'-P energy: -81.251 bonds (distance) P-C4' energy: -97.205 flat angles C4'-P-C4' energy: -104.057 flat angles P-C4'-P energy: -73.954 tors. eta vs tors. theta energy: -114.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1495.304636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.304636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.304636 (E_RNA) where: Base-Base interactions energy: -1003.149 where: short stacking energy: -428.867 Base-Backbone interact. energy: -1.884 local terms energy: -490.272361 where: bonds (distance) C4'-P energy: -96.075 bonds (distance) P-C4' energy: -105.102 flat angles C4'-P-C4' energy: -106.670 flat angles P-C4'-P energy: -66.158 tors. eta vs tors. theta energy: -116.267 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: 3 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1355.061674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.061674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.061674 (E_RNA) where: Base-Base interactions energy: -878.476 where: short stacking energy: -405.910 Base-Backbone interact. energy: -0.910 local terms energy: -475.676193 where: bonds (distance) C4'-P energy: -99.036 bonds (distance) P-C4' energy: -99.377 flat angles C4'-P-C4' energy: -96.262 flat angles P-C4'-P energy: -74.750 tors. eta vs tors. theta energy: -106.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1165.771795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.771795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.771795 (E_RNA) where: Base-Base interactions energy: -750.816 where: short stacking energy: -341.530 Base-Backbone interact. energy: -2.329 local terms energy: -412.627476 where: bonds (distance) C4'-P energy: -92.631 bonds (distance) P-C4' energy: -95.364 flat angles C4'-P-C4' energy: -87.621 flat angles P-C4'-P energy: -47.614 tors. eta vs tors. theta energy: -89.396 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: 4 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1114.994651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.994651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.994651 (E_RNA) where: Base-Base interactions energy: -717.868 where: short stacking energy: -310.321 Base-Backbone interact. energy: -3.134 local terms energy: -393.992591 where: bonds (distance) C4'-P energy: -82.248 bonds (distance) P-C4' energy: -93.897 flat angles C4'-P-C4' energy: -85.048 flat angles P-C4'-P energy: -61.994 tors. eta vs tors. theta energy: -70.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -983.003503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.003503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.003503 (E_RNA) where: Base-Base interactions energy: -625.662 where: short stacking energy: -286.892 Base-Backbone interact. energy: -3.165 local terms energy: -354.176146 where: bonds (distance) C4'-P energy: -76.065 bonds (distance) P-C4' energy: -79.654 flat angles C4'-P-C4' energy: -98.171 flat angles P-C4'-P energy: -45.032 tors. eta vs tors. theta energy: -55.254 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: 1 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -888.904638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.904638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.904638 (E_RNA) where: Base-Base interactions energy: -528.545 where: short stacking energy: -252.715 Base-Backbone interact. energy: -2.808 local terms energy: -357.551932 where: bonds (distance) C4'-P energy: -87.338 bonds (distance) P-C4' energy: -90.394 flat angles C4'-P-C4' energy: -78.348 flat angles P-C4'-P energy: -61.042 tors. eta vs tors. theta energy: -40.430 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: 6 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -832.310894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.310894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.310894 (E_RNA) where: Base-Base interactions energy: -514.370 where: short stacking energy: -247.800 Base-Backbone interact. energy: 3.456 local terms energy: -321.397146 where: bonds (distance) C4'-P energy: -68.247 bonds (distance) P-C4' energy: -84.332 flat angles C4'-P-C4' energy: -75.556 flat angles P-C4'-P energy: -47.776 tors. eta vs tors. theta energy: -45.485 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: 23 Temperature: 1.300000 Total energy: -697.750926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.750926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.750926 (E_RNA) where: Base-Base interactions energy: -415.437 where: short stacking energy: -191.215 Base-Backbone interact. energy: -2.452 local terms energy: -279.861705 where: bonds (distance) C4'-P energy: -81.126 bonds (distance) P-C4' energy: -80.940 flat angles C4'-P-C4' energy: -68.839 flat angles P-C4'-P energy: -30.384 tors. eta vs tors. theta energy: -18.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -400.783626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.783626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.783626 (E_RNA) where: Base-Base interactions energy: -137.732 where: short stacking energy: -110.189 Base-Backbone interact. energy: 1.497 local terms energy: -264.548292 where: bonds (distance) C4'-P energy: -83.975 bonds (distance) P-C4' energy: -73.232 flat angles C4'-P-C4' energy: -72.589 flat angles P-C4'-P energy: -32.088 tors. eta vs tors. theta energy: -2.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1524.975588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.975588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.975588 (E_RNA) where: Base-Base interactions energy: -1038.368 where: short stacking energy: -430.564 Base-Backbone interact. energy: -0.863 local terms energy: -485.745207 where: bonds (distance) C4'-P energy: -94.468 bonds (distance) P-C4' energy: -104.678 flat angles C4'-P-C4' energy: -103.935 flat angles P-C4'-P energy: -66.883 tors. eta vs tors. theta energy: -115.782 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: 2 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1504.401042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.401042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.401042 (E_RNA) where: Base-Base interactions energy: -1019.574 where: short stacking energy: -437.905 Base-Backbone interact. energy: -0.371 local terms energy: -484.456030 where: bonds (distance) C4'-P energy: -97.483 bonds (distance) P-C4' energy: -97.736 flat angles C4'-P-C4' energy: -115.073 flat angles P-C4'-P energy: -59.228 tors. eta vs tors. theta energy: -114.936 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: 3, replica: 3 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1381.376177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.376177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.376177 (E_RNA) where: Base-Base interactions energy: -917.415 where: short stacking energy: -424.912 Base-Backbone interact. energy: 2.886 local terms energy: -466.847041 where: bonds (distance) C4'-P energy: -91.565 bonds (distance) P-C4' energy: -94.052 flat angles C4'-P-C4' energy: -93.460 flat angles P-C4'-P energy: -71.524 tors. eta vs tors. theta energy: -116.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1140.954324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.954324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.954324 (E_RNA) where: Base-Base interactions energy: -728.126 where: short stacking energy: -352.121 Base-Backbone interact. energy: -2.753 local terms energy: -410.074855 where: bonds (distance) C4'-P energy: -86.609 bonds (distance) P-C4' energy: -82.807 flat angles C4'-P-C4' energy: -101.498 flat angles P-C4'-P energy: -61.866 tors. eta vs tors. theta energy: -77.296 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: 4 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1135.293568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.293568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.293568 (E_RNA) where: Base-Base interactions energy: -715.910 where: short stacking energy: -338.803 Base-Backbone interact. energy: 2.036 local terms energy: -421.419350 where: bonds (distance) C4'-P energy: -86.285 bonds (distance) P-C4' energy: -75.723 flat angles C4'-P-C4' energy: -97.347 flat angles P-C4'-P energy: -71.442 tors. eta vs tors. theta energy: -90.623 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: 9 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -967.321637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.321637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.321637 (E_RNA) where: Base-Base interactions energy: -619.827 where: short stacking energy: -273.330 Base-Backbone interact. energy: -0.560 local terms energy: -346.934663 where: bonds (distance) C4'-P energy: -68.573 bonds (distance) P-C4' energy: -84.092 flat angles C4'-P-C4' energy: -90.599 flat angles P-C4'-P energy: -48.581 tors. eta vs tors. theta energy: -55.089 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: 7, replica: 6 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -841.150325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.150325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.150325 (E_RNA) where: Base-Base interactions energy: -491.750 where: short stacking energy: -249.626 Base-Backbone interact. energy: -0.946 local terms energy: -348.454489 where: bonds (distance) C4'-P energy: -86.899 bonds (distance) P-C4' energy: -77.245 flat angles C4'-P-C4' energy: -82.669 flat angles P-C4'-P energy: -68.672 tors. eta vs tors. theta energy: -32.970 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: 1 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -890.647382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.647382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.647382 (E_RNA) where: Base-Base interactions energy: -537.577 where: short stacking energy: -238.705 Base-Backbone interact. energy: -0.891 local terms energy: -352.179880 where: bonds (distance) C4'-P energy: -78.939 bonds (distance) P-C4' energy: -81.013 flat angles C4'-P-C4' energy: -95.978 flat angles P-C4'-P energy: -56.145 tors. eta vs tors. theta energy: -40.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -704.000589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.000589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.000589 (E_RNA) where: Base-Base interactions energy: -381.852 where: short stacking energy: -190.024 Base-Backbone interact. energy: -0.923 local terms energy: -321.225710 where: bonds (distance) C4'-P energy: -70.521 bonds (distance) P-C4' energy: -88.672 flat angles C4'-P-C4' energy: -80.203 flat angles P-C4'-P energy: -58.242 tors. eta vs tors. theta energy: -23.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -358.530441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.530441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.530441 (E_RNA) where: Base-Base interactions energy: -124.995 where: short stacking energy: -104.767 Base-Backbone interact. energy: 9.830 local terms energy: -243.364920 where: bonds (distance) C4'-P energy: -71.224 bonds (distance) P-C4' energy: -65.375 flat angles C4'-P-C4' energy: -75.573 flat angles P-C4'-P energy: -39.711 tors. eta vs tors. theta energy: 8.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1520.851254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.851254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.851254 (E_RNA) where: Base-Base interactions energy: -1024.404 where: short stacking energy: -436.445 Base-Backbone interact. energy: -1.345 local terms energy: -495.102686 where: bonds (distance) C4'-P energy: -93.857 bonds (distance) P-C4' energy: -99.256 flat angles C4'-P-C4' energy: -100.363 flat angles P-C4'-P energy: -71.654 tors. eta vs tors. theta energy: -129.973 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: 2, replica: 2 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1514.069636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.069636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.069636 (E_RNA) where: Base-Base interactions energy: -1004.175 where: short stacking energy: -456.289 Base-Backbone interact. energy: -1.167 local terms energy: -508.727833 where: bonds (distance) C4'-P energy: -89.314 bonds (distance) P-C4' energy: -105.283 flat angles C4'-P-C4' energy: -114.066 flat angles P-C4'-P energy: -60.010 tors. eta vs tors. theta energy: -140.055 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: 3 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1352.920567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.920567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.920567 (E_RNA) where: Base-Base interactions energy: -890.936 where: short stacking energy: -417.883 Base-Backbone interact. energy: -0.419 local terms energy: -461.565333 where: bonds (distance) C4'-P energy: -93.623 bonds (distance) P-C4' energy: -90.509 flat angles C4'-P-C4' energy: -96.339 flat angles P-C4'-P energy: -59.347 tors. eta vs tors. theta energy: -121.747 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: 4, replica: 5 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1108.523889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.523889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.523889 (E_RNA) where: Base-Base interactions energy: -696.662 where: short stacking energy: -317.084 Base-Backbone interact. energy: 0.637 local terms energy: -412.498501 where: bonds (distance) C4'-P energy: -93.890 bonds (distance) P-C4' energy: -90.411 flat angles C4'-P-C4' energy: -91.250 flat angles P-C4'-P energy: -64.151 tors. eta vs tors. theta energy: -72.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1177.969942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.969942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.969942 (E_RNA) where: Base-Base interactions energy: -747.189 where: short stacking energy: -332.492 Base-Backbone interact. energy: -0.423 local terms energy: -430.357769 where: bonds (distance) C4'-P energy: -90.164 bonds (distance) P-C4' energy: -90.077 flat angles C4'-P-C4' energy: -96.594 flat angles P-C4'-P energy: -59.313 tors. eta vs tors. theta energy: -94.210 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: 25 Temperature: 1.150000 Total energy: -978.212590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.212590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.212590 (E_RNA) where: Base-Base interactions energy: -621.503 where: short stacking energy: -300.094 Base-Backbone interact. energy: 0.139 local terms energy: -356.848291 where: bonds (distance) C4'-P energy: -69.454 bonds (distance) P-C4' energy: -87.965 flat angles C4'-P-C4' energy: -85.454 flat angles P-C4'-P energy: -51.654 tors. eta vs tors. theta energy: -62.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -905.644007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.644007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.644007 (E_RNA) where: Base-Base interactions energy: -554.867 where: short stacking energy: -275.714 Base-Backbone interact. energy: 0.508 local terms energy: -351.284620 where: bonds (distance) C4'-P energy: -68.653 bonds (distance) P-C4' energy: -94.474 flat angles C4'-P-C4' energy: -76.492 flat angles P-C4'-P energy: -52.218 tors. eta vs tors. theta energy: -59.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -904.585373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.585373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.585373 (E_RNA) where: Base-Base interactions energy: -560.890 where: short stacking energy: -258.644 Base-Backbone interact. energy: -1.878 local terms energy: -341.816522 where: bonds (distance) C4'-P energy: -81.810 bonds (distance) P-C4' energy: -79.955 flat angles C4'-P-C4' energy: -90.669 flat angles P-C4'-P energy: -40.236 tors. eta vs tors. theta energy: -49.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -625.971729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.971729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.971729 (E_RNA) where: Base-Base interactions energy: -336.256 where: short stacking energy: -168.007 Base-Backbone interact. energy: -0.191 local terms energy: -289.525105 where: bonds (distance) C4'-P energy: -75.688 bonds (distance) P-C4' energy: -82.853 flat angles C4'-P-C4' energy: -67.423 flat angles P-C4'-P energy: -45.316 tors. eta vs tors. theta energy: -18.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -403.201095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.201095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.201095 (E_RNA) where: Base-Base interactions energy: -146.209 where: short stacking energy: -117.919 Base-Backbone interact. energy: -1.676 local terms energy: -255.316081 where: bonds (distance) C4'-P energy: -73.907 bonds (distance) P-C4' energy: -81.262 flat angles C4'-P-C4' energy: -63.688 flat angles P-C4'-P energy: -45.279 tors. eta vs tors. theta energy: 8.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1561.528236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.528236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.528236 (E_RNA) where: Base-Base interactions energy: -1067.167 where: short stacking energy: -446.692 Base-Backbone interact. energy: -1.657 local terms energy: -492.704354 where: bonds (distance) C4'-P energy: -82.439 bonds (distance) P-C4' energy: -104.894 flat angles C4'-P-C4' energy: -115.003 flat angles P-C4'-P energy: -61.127 tors. eta vs tors. theta energy: -129.241 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: 26 Temperature: 0.950000 Total energy: -1503.484622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.484622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.484622 (E_RNA) where: Base-Base interactions energy: -1004.617 where: short stacking energy: -419.708 Base-Backbone interact. energy: -1.619 local terms energy: -497.248069 where: bonds (distance) C4'-P energy: -96.565 bonds (distance) P-C4' energy: -102.188 flat angles C4'-P-C4' energy: -100.820 flat angles P-C4'-P energy: -76.364 tors. eta vs tors. theta energy: -121.312 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: 3, replica: 3 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1383.341574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.341574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.341574 (E_RNA) where: Base-Base interactions energy: -902.345 where: short stacking energy: -398.963 Base-Backbone interact. energy: -0.987 local terms energy: -480.009606 where: bonds (distance) C4'-P energy: -91.572 bonds (distance) P-C4' energy: -101.765 flat angles C4'-P-C4' energy: -103.099 flat angles P-C4'-P energy: -65.406 tors. eta vs tors. theta energy: -118.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1157.829355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.829355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.829355 (E_RNA) where: Base-Base interactions energy: -755.184 where: short stacking energy: -348.322 Base-Backbone interact. energy: -1.682 local terms energy: -400.963629 where: bonds (distance) C4'-P energy: -87.554 bonds (distance) P-C4' energy: -91.494 flat angles C4'-P-C4' energy: -90.111 flat angles P-C4'-P energy: -50.452 tors. eta vs tors. theta energy: -81.353 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: 4 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1193.561973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.561973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.561973 (E_RNA) where: Base-Base interactions energy: -768.198 where: short stacking energy: -315.856 Base-Backbone interact. energy: -1.752 local terms energy: -423.611584 where: bonds (distance) C4'-P energy: -89.070 bonds (distance) P-C4' energy: -96.740 flat angles C4'-P-C4' energy: -95.844 flat angles P-C4'-P energy: -58.491 tors. eta vs tors. theta energy: -83.467 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: 9 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -959.334087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.334087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.334087 (E_RNA) where: Base-Base interactions energy: -600.362 where: short stacking energy: -270.701 Base-Backbone interact. energy: -0.778 local terms energy: -358.194821 where: bonds (distance) C4'-P energy: -78.234 bonds (distance) P-C4' energy: -84.444 flat angles C4'-P-C4' energy: -89.748 flat angles P-C4'-P energy: -47.922 tors. eta vs tors. theta energy: -57.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -935.532336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.532336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.532336 (E_RNA) where: Base-Base interactions energy: -567.138 where: short stacking energy: -254.790 Base-Backbone interact. energy: 0.728 local terms energy: -369.121975 where: bonds (distance) C4'-P energy: -82.003 bonds (distance) P-C4' energy: -90.889 flat angles C4'-P-C4' energy: -77.368 flat angles P-C4'-P energy: -59.995 tors. eta vs tors. theta energy: -58.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -945.014374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.014374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.014374 (E_RNA) where: Base-Base interactions energy: -576.850 where: short stacking energy: -253.766 Base-Backbone interact. energy: -1.471 local terms energy: -366.692575 where: bonds (distance) C4'-P energy: -91.975 bonds (distance) P-C4' energy: -81.014 flat angles C4'-P-C4' energy: -76.819 flat angles P-C4'-P energy: -63.201 tors. eta vs tors. theta energy: -53.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -667.200589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.200589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.200589 (E_RNA) where: Base-Base interactions energy: -374.717 where: short stacking energy: -192.616 Base-Backbone interact. energy: -0.418 local terms energy: -292.065431 where: bonds (distance) C4'-P energy: -65.920 bonds (distance) P-C4' energy: -97.094 flat angles C4'-P-C4' energy: -67.057 flat angles P-C4'-P energy: -38.395 tors. eta vs tors. theta energy: -23.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -380.619203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.619203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.619203 (E_RNA) where: Base-Base interactions energy: -117.238 where: short stacking energy: -87.456 Base-Backbone interact. energy: -1.513 local terms energy: -261.868052 where: bonds (distance) C4'-P energy: -79.433 bonds (distance) P-C4' energy: -93.927 flat angles C4'-P-C4' energy: -63.373 flat angles P-C4'-P energy: -42.359 tors. eta vs tors. theta energy: 17.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1566.845659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.845659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.845659 (E_RNA) where: Base-Base interactions energy: -1059.045 where: short stacking energy: -455.769 Base-Backbone interact. energy: -0.669 local terms energy: -507.132367 where: bonds (distance) C4'-P energy: -95.846 bonds (distance) P-C4' energy: -98.737 flat angles C4'-P-C4' energy: -111.657 flat angles P-C4'-P energy: -77.387 tors. eta vs tors. theta energy: -123.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1501.430810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.430810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.430810 (E_RNA) where: Base-Base interactions energy: -1011.397 where: short stacking energy: -445.979 Base-Backbone interact. energy: -2.017 local terms energy: -488.017335 where: bonds (distance) C4'-P energy: -81.914 bonds (distance) P-C4' energy: -87.686 flat angles C4'-P-C4' energy: -115.192 flat angles P-C4'-P energy: -71.469 tors. eta vs tors. theta energy: -131.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1423.686705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.686705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.686705 (E_RNA) where: Base-Base interactions energy: -933.961 where: short stacking energy: -432.210 Base-Backbone interact. energy: -1.722 local terms energy: -488.003451 where: bonds (distance) C4'-P energy: -81.887 bonds (distance) P-C4' energy: -91.484 flat angles C4'-P-C4' energy: -110.848 flat angles P-C4'-P energy: -75.420 tors. eta vs tors. theta energy: -128.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1229.659338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.659338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.659338 (E_RNA) where: Base-Base interactions energy: -811.601 where: short stacking energy: -347.106 Base-Backbone interact. energy: 0.163 local terms energy: -418.221482 where: bonds (distance) C4'-P energy: -80.396 bonds (distance) P-C4' energy: -93.169 flat angles C4'-P-C4' energy: -96.878 flat angles P-C4'-P energy: -66.337 tors. eta vs tors. theta energy: -81.441 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: 5, replica: 5 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1074.167972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.167972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.167972 (E_RNA) where: Base-Base interactions energy: -682.442 where: short stacking energy: -310.796 Base-Backbone interact. energy: -3.356 local terms energy: -388.370316 where: bonds (distance) C4'-P energy: -80.268 bonds (distance) P-C4' energy: -86.062 flat angles C4'-P-C4' energy: -98.686 flat angles P-C4'-P energy: -53.361 tors. eta vs tors. theta energy: -69.993 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: 6, replica: 6 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -958.006968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.006968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.006968 (E_RNA) where: Base-Base interactions energy: -586.453 where: short stacking energy: -280.193 Base-Backbone interact. energy: -0.452 local terms energy: -371.102352 where: bonds (distance) C4'-P energy: -86.225 bonds (distance) P-C4' energy: -81.482 flat angles C4'-P-C4' energy: -81.588 flat angles P-C4'-P energy: -60.834 tors. eta vs tors. theta energy: -60.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -926.509086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.509086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.509086 (E_RNA) where: Base-Base interactions energy: -592.460 where: short stacking energy: -253.424 Base-Backbone interact. energy: 1.455 local terms energy: -335.504073 where: bonds (distance) C4'-P energy: -70.968 bonds (distance) P-C4' energy: -87.031 flat angles C4'-P-C4' energy: -87.522 flat angles P-C4'-P energy: -44.168 tors. eta vs tors. theta energy: -45.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -954.930309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.930309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.930309 (E_RNA) where: Base-Base interactions energy: -598.405 where: short stacking energy: -267.697 Base-Backbone interact. energy: 5.469 local terms energy: -361.994022 where: bonds (distance) C4'-P energy: -86.626 bonds (distance) P-C4' energy: -82.818 flat angles C4'-P-C4' energy: -79.467 flat angles P-C4'-P energy: -48.488 tors. eta vs tors. theta energy: -64.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -660.997009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.997009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.997009 (E_RNA) where: Base-Base interactions energy: -364.400 where: short stacking energy: -193.782 Base-Backbone interact. energy: 0.611 local terms energy: -297.207221 where: bonds (distance) C4'-P energy: -75.695 bonds (distance) P-C4' energy: -89.160 flat angles C4'-P-C4' energy: -62.230 flat angles P-C4'-P energy: -48.538 tors. eta vs tors. theta energy: -21.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -383.967502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.967502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.967502 (E_RNA) where: Base-Base interactions energy: -138.866 where: short stacking energy: -131.667 Base-Backbone interact. energy: 1.769 local terms energy: -246.870612 where: bonds (distance) C4'-P energy: -68.606 bonds (distance) P-C4' energy: -86.226 flat angles C4'-P-C4' energy: -71.056 flat angles P-C4'-P energy: -32.190 tors. eta vs tors. theta energy: 11.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1577.277046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.277046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.277046 (E_RNA) where: Base-Base interactions energy: -1087.164 where: short stacking energy: -449.063 Base-Backbone interact. energy: -0.569 local terms energy: -489.544217 where: bonds (distance) C4'-P energy: -91.578 bonds (distance) P-C4' energy: -97.833 flat angles C4'-P-C4' energy: -100.666 flat angles P-C4'-P energy: -71.808 tors. eta vs tors. theta energy: -127.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1499.300122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.300122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.300122 (E_RNA) where: Base-Base interactions energy: -1016.719 where: short stacking energy: -432.238 Base-Backbone interact. energy: -1.067 local terms energy: -481.513628 where: bonds (distance) C4'-P energy: -78.481 bonds (distance) P-C4' energy: -100.220 flat angles C4'-P-C4' energy: -108.817 flat angles P-C4'-P energy: -67.093 tors. eta vs tors. theta energy: -126.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1425.176641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.176641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.176641 (E_RNA) where: Base-Base interactions energy: -943.477 where: short stacking energy: -426.507 Base-Backbone interact. energy: -2.357 local terms energy: -479.342825 where: bonds (distance) C4'-P energy: -78.091 bonds (distance) P-C4' energy: -105.229 flat angles C4'-P-C4' energy: -100.223 flat angles P-C4'-P energy: -67.869 tors. eta vs tors. theta energy: -127.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1296.002221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.002221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.002221 (E_RNA) where: Base-Base interactions energy: -842.693 where: short stacking energy: -351.713 Base-Backbone interact. energy: 0.481 local terms energy: -453.790149 where: bonds (distance) C4'-P energy: -104.287 bonds (distance) P-C4' energy: -78.588 flat angles C4'-P-C4' energy: -106.342 flat angles P-C4'-P energy: -68.209 tors. eta vs tors. theta energy: -96.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1113.586451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.586451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.586451 (E_RNA) where: Base-Base interactions energy: -708.190 where: short stacking energy: -319.853 Base-Backbone interact. energy: -1.050 local terms energy: -404.346796 where: bonds (distance) C4'-P energy: -90.142 bonds (distance) P-C4' energy: -90.415 flat angles C4'-P-C4' energy: -91.306 flat angles P-C4'-P energy: -42.147 tors. eta vs tors. theta energy: -90.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -973.471847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.471847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.471847 (E_RNA) where: Base-Base interactions energy: -616.671 where: short stacking energy: -266.467 Base-Backbone interact. energy: -1.330 local terms energy: -355.470245 where: bonds (distance) C4'-P energy: -74.547 bonds (distance) P-C4' energy: -82.861 flat angles C4'-P-C4' energy: -86.770 flat angles P-C4'-P energy: -51.196 tors. eta vs tors. theta energy: -60.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -970.042694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.042694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.042694 (E_RNA) where: Base-Base interactions energy: -637.700 where: short stacking energy: -275.700 Base-Backbone interact. energy: -1.398 local terms energy: -330.944361 where: bonds (distance) C4'-P energy: -82.326 bonds (distance) P-C4' energy: -59.099 flat angles C4'-P-C4' energy: -69.594 flat angles P-C4'-P energy: -56.112 tors. eta vs tors. theta energy: -63.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -874.968738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.968738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.968738 (E_RNA) where: Base-Base interactions energy: -535.523 where: short stacking energy: -235.867 Base-Backbone interact. energy: -1.612 local terms energy: -337.834083 where: bonds (distance) C4'-P energy: -92.977 bonds (distance) P-C4' energy: -83.296 flat angles C4'-P-C4' energy: -73.469 flat angles P-C4'-P energy: -49.124 tors. eta vs tors. theta energy: -38.968 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: 8 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -749.303977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.303977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.303977 (E_RNA) where: Base-Base interactions energy: -428.639 where: short stacking energy: -202.398 Base-Backbone interact. energy: 4.404 local terms energy: -325.068192 where: bonds (distance) C4'-P energy: -78.836 bonds (distance) P-C4' energy: -83.790 flat angles C4'-P-C4' energy: -77.414 flat angles P-C4'-P energy: -59.147 tors. eta vs tors. theta energy: -25.881 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: 10, replica: 10 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -363.958728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.958728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.958728 (E_RNA) where: Base-Base interactions energy: -131.251 where: short stacking energy: -124.861 Base-Backbone interact. energy: 1.983 local terms energy: -234.690690 where: bonds (distance) C4'-P energy: -69.618 bonds (distance) P-C4' energy: -75.042 flat angles C4'-P-C4' energy: -45.512 flat angles P-C4'-P energy: -43.978 tors. eta vs tors. theta energy: -0.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1586.464585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.464585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.464585 (E_RNA) where: Base-Base interactions energy: -1077.559 where: short stacking energy: -444.395 Base-Backbone interact. energy: -2.691 local terms energy: -506.214089 where: bonds (distance) C4'-P energy: -108.687 bonds (distance) P-C4' energy: -103.156 flat angles C4'-P-C4' energy: -105.907 flat angles P-C4'-P energy: -63.887 tors. eta vs tors. theta energy: -124.578 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: 29 Temperature: 0.950000 Total energy: -1528.669378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.669378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.669378 (E_RNA) where: Base-Base interactions energy: -1026.404 where: short stacking energy: -443.565 Base-Backbone interact. energy: -2.606 local terms energy: -499.658744 where: bonds (distance) C4'-P energy: -96.052 bonds (distance) P-C4' energy: -94.412 flat angles C4'-P-C4' energy: -104.025 flat angles P-C4'-P energy: -82.117 tors. eta vs tors. theta energy: -123.053 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: 3, replica: 3 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1462.103976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.103976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.103976 (E_RNA) where: Base-Base interactions energy: -981.242 where: short stacking energy: -424.877 Base-Backbone interact. energy: -1.762 local terms energy: -479.099754 where: bonds (distance) C4'-P energy: -93.697 bonds (distance) P-C4' energy: -100.300 flat angles C4'-P-C4' energy: -89.984 flat angles P-C4'-P energy: -68.990 tors. eta vs tors. theta energy: -126.129 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: 4 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1301.466184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.466184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.466184 (E_RNA) where: Base-Base interactions energy: -870.638 where: short stacking energy: -384.404 Base-Backbone interact. energy: 2.204 local terms energy: -433.032450 where: bonds (distance) C4'-P energy: -70.034 bonds (distance) P-C4' energy: -94.303 flat angles C4'-P-C4' energy: -105.558 flat angles P-C4'-P energy: -59.850 tors. eta vs tors. theta energy: -103.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1140.860611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.860611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.860611 (E_RNA) where: Base-Base interactions energy: -748.987 where: short stacking energy: -354.203 Base-Backbone interact. energy: -1.522 local terms energy: -390.352153 where: bonds (distance) C4'-P energy: -89.402 bonds (distance) P-C4' energy: -76.528 flat angles C4'-P-C4' energy: -88.612 flat angles P-C4'-P energy: -51.582 tors. eta vs tors. theta energy: -84.229 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: 6, replica: 9 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1077.489083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.489083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.489083 (E_RNA) where: Base-Base interactions energy: -694.445 where: short stacking energy: -325.948 Base-Backbone interact. energy: -2.127 local terms energy: -380.916612 where: bonds (distance) C4'-P energy: -88.525 bonds (distance) P-C4' energy: -96.469 flat angles C4'-P-C4' energy: -79.238 flat angles P-C4'-P energy: -52.240 tors. eta vs tors. theta energy: -64.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -913.062716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.062716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.062716 (E_RNA) where: Base-Base interactions energy: -559.005 where: short stacking energy: -243.359 Base-Backbone interact. energy: 4.972 local terms energy: -359.029500 where: bonds (distance) C4'-P energy: -78.499 bonds (distance) P-C4' energy: -84.955 flat angles C4'-P-C4' energy: -87.311 flat angles P-C4'-P energy: -66.128 tors. eta vs tors. theta energy: -42.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -873.815908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.815908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.815908 (E_RNA) where: Base-Base interactions energy: -540.395 where: short stacking energy: -232.401 Base-Backbone interact. energy: 3.645 local terms energy: -337.066255 where: bonds (distance) C4'-P energy: -86.166 bonds (distance) P-C4' energy: -92.188 flat angles C4'-P-C4' energy: -81.737 flat angles P-C4'-P energy: -35.325 tors. eta vs tors. theta energy: -41.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -726.075183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.075183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.075183 (E_RNA) where: Base-Base interactions energy: -420.762 where: short stacking energy: -212.903 Base-Backbone interact. energy: -1.943 local terms energy: -303.370220 where: bonds (distance) C4'-P energy: -77.882 bonds (distance) P-C4' energy: -70.263 flat angles C4'-P-C4' energy: -66.365 flat angles P-C4'-P energy: -61.276 tors. eta vs tors. theta energy: -27.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -375.915378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.915378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.915378 (E_RNA) where: Base-Base interactions energy: -131.359 where: short stacking energy: -108.775 Base-Backbone interact. energy: -0.997 local terms energy: -243.559059 where: bonds (distance) C4'-P energy: -82.771 bonds (distance) P-C4' energy: -96.576 flat angles C4'-P-C4' energy: -57.186 flat angles P-C4'-P energy: -25.187 tors. eta vs tors. theta energy: 18.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1601.350825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.350825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.350825 (E_RNA) where: Base-Base interactions energy: -1080.329 where: short stacking energy: -457.221 Base-Backbone interact. energy: -1.450 local terms energy: -519.572052 where: bonds (distance) C4'-P energy: -102.310 bonds (distance) P-C4' energy: -98.566 flat angles C4'-P-C4' energy: -118.216 flat angles P-C4'-P energy: -63.196 tors. eta vs tors. theta energy: -137.283 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: 7 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1504.687366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.687366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.687366 (E_RNA) where: Base-Base interactions energy: -1029.465 where: short stacking energy: -404.000 Base-Backbone interact. energy: -1.615 local terms energy: -473.606864 where: bonds (distance) C4'-P energy: -90.698 bonds (distance) P-C4' energy: -84.277 flat angles C4'-P-C4' energy: -104.659 flat angles P-C4'-P energy: -67.864 tors. eta vs tors. theta energy: -126.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1461.744338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.744338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.744338 (E_RNA) where: Base-Base interactions energy: -1027.822 where: short stacking energy: -419.857 Base-Backbone interact. energy: -1.151 local terms energy: -432.771322 where: bonds (distance) C4'-P energy: -76.207 bonds (distance) P-C4' energy: -79.771 flat angles C4'-P-C4' energy: -100.606 flat angles P-C4'-P energy: -51.195 tors. eta vs tors. theta energy: -124.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1319.321486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.321486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.321486 (E_RNA) where: Base-Base interactions energy: -867.683 where: short stacking energy: -364.904 Base-Backbone interact. energy: -0.635 local terms energy: -451.003440 where: bonds (distance) C4'-P energy: -88.264 bonds (distance) P-C4' energy: -98.287 flat angles C4'-P-C4' energy: -102.722 flat angles P-C4'-P energy: -61.616 tors. eta vs tors. theta energy: -100.114 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: 5, replica: 5 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1149.550075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.550075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.550075 (E_RNA) where: Base-Base interactions energy: -725.347 where: short stacking energy: -328.501 Base-Backbone interact. energy: 0.759 local terms energy: -424.962404 where: bonds (distance) C4'-P energy: -84.834 bonds (distance) P-C4' energy: -100.372 flat angles C4'-P-C4' energy: -95.733 flat angles P-C4'-P energy: -58.757 tors. eta vs tors. theta energy: -85.266 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: 30 Temperature: 1.150000 Total energy: -1101.843717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.843717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.843717 (E_RNA) where: Base-Base interactions energy: -734.429 where: short stacking energy: -319.834 Base-Backbone interact. energy: -2.436 local terms energy: -364.979062 where: bonds (distance) C4'-P energy: -74.808 bonds (distance) P-C4' energy: -83.182 flat angles C4'-P-C4' energy: -80.421 flat angles P-C4'-P energy: -60.548 tors. eta vs tors. theta energy: -66.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -954.870109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.870109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.870109 (E_RNA) where: Base-Base interactions energy: -596.344 where: short stacking energy: -262.712 Base-Backbone interact. energy: 0.670 local terms energy: -359.196061 where: bonds (distance) C4'-P energy: -78.202 bonds (distance) P-C4' energy: -98.582 flat angles C4'-P-C4' energy: -77.862 flat angles P-C4'-P energy: -50.455 tors. eta vs tors. theta energy: -54.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -883.097572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.097572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.097572 (E_RNA) where: Base-Base interactions energy: -542.941 where: short stacking energy: -239.756 Base-Backbone interact. energy: 1.771 local terms energy: -341.927298 where: bonds (distance) C4'-P energy: -66.835 bonds (distance) P-C4' energy: -93.552 flat angles C4'-P-C4' energy: -76.289 flat angles P-C4'-P energy: -49.378 tors. eta vs tors. theta energy: -55.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -753.527554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.527554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.527554 (E_RNA) where: Base-Base interactions energy: -440.888 where: short stacking energy: -189.898 Base-Backbone interact. energy: -0.278 local terms energy: -312.361512 where: bonds (distance) C4'-P energy: -85.010 bonds (distance) P-C4' energy: -72.401 flat angles C4'-P-C4' energy: -76.694 flat angles P-C4'-P energy: -45.813 tors. eta vs tors. theta energy: -32.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -365.743161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.743161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.743161 (E_RNA) where: Base-Base interactions energy: -112.815 where: short stacking energy: -67.228 Base-Backbone interact. energy: 0.166 local terms energy: -253.094044 where: bonds (distance) C4'-P energy: -83.962 bonds (distance) P-C4' energy: -90.161 flat angles C4'-P-C4' energy: -70.069 flat angles P-C4'-P energy: -40.497 tors. eta vs tors. theta energy: 31.595 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: 2 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1614.100595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.100595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.100595 (E_RNA) where: Base-Base interactions energy: -1099.993 where: short stacking energy: -466.184 Base-Backbone interact. energy: 1.329 local terms energy: -515.436469 where: bonds (distance) C4'-P energy: -94.127 bonds (distance) P-C4' energy: -111.358 flat angles C4'-P-C4' energy: -109.660 flat angles P-C4'-P energy: -70.483 tors. eta vs tors. theta energy: -129.809 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: 7 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1496.105938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.105938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.105938 (E_RNA) where: Base-Base interactions energy: -1015.819 where: short stacking energy: -420.713 Base-Backbone interact. energy: -0.556 local terms energy: -479.731002 where: bonds (distance) C4'-P energy: -85.354 bonds (distance) P-C4' energy: -100.038 flat angles C4'-P-C4' energy: -104.991 flat angles P-C4'-P energy: -79.383 tors. eta vs tors. theta energy: -109.965 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: 3 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1478.483825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.483825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.483825 (E_RNA) where: Base-Base interactions energy: -1005.900 where: short stacking energy: -408.995 Base-Backbone interact. energy: -2.197 local terms energy: -470.386547 where: bonds (distance) C4'-P energy: -90.875 bonds (distance) P-C4' energy: -90.579 flat angles C4'-P-C4' energy: -112.981 flat angles P-C4'-P energy: -56.724 tors. eta vs tors. theta energy: -119.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1392.573846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.573846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.573846 (E_RNA) where: Base-Base interactions energy: -928.941 where: short stacking energy: -412.412 Base-Backbone interact. energy: -0.875 local terms energy: -462.757791 where: bonds (distance) C4'-P energy: -90.307 bonds (distance) P-C4' energy: -95.622 flat angles C4'-P-C4' energy: -96.387 flat angles P-C4'-P energy: -59.696 tors. eta vs tors. theta energy: -120.746 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: 5 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1190.771762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.771762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.771762 (E_RNA) where: Base-Base interactions energy: -788.777 where: short stacking energy: -352.025 Base-Backbone interact. energy: 1.237 local terms energy: -403.231731 where: bonds (distance) C4'-P energy: -78.780 bonds (distance) P-C4' energy: -81.445 flat angles C4'-P-C4' energy: -94.061 flat angles P-C4'-P energy: -67.526 tors. eta vs tors. theta energy: -81.421 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: 9 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1151.218855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.218855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.218855 (E_RNA) where: Base-Base interactions energy: -746.736 where: short stacking energy: -322.778 Base-Backbone interact. energy: -1.252 local terms energy: -403.231476 where: bonds (distance) C4'-P energy: -69.077 bonds (distance) P-C4' energy: -80.465 flat angles C4'-P-C4' energy: -91.890 flat angles P-C4'-P energy: -71.731 tors. eta vs tors. theta energy: -90.068 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: 6 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -985.566478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.566478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.566478 (E_RNA) where: Base-Base interactions energy: -602.850 where: short stacking energy: -290.417 Base-Backbone interact. energy: 0.091 local terms energy: -382.807833 where: bonds (distance) C4'-P energy: -85.344 bonds (distance) P-C4' energy: -85.946 flat angles C4'-P-C4' energy: -82.640 flat angles P-C4'-P energy: -63.448 tors. eta vs tors. theta energy: -65.429 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: 1 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -886.525139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.525139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.525139 (E_RNA) where: Base-Base interactions energy: -569.118 where: short stacking energy: -249.349 Base-Backbone interact. energy: 0.106 local terms energy: -317.512854 where: bonds (distance) C4'-P energy: -68.911 bonds (distance) P-C4' energy: -89.463 flat angles C4'-P-C4' energy: -82.044 flat angles P-C4'-P energy: -51.032 tors. eta vs tors. theta energy: -26.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -818.214467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.214467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.214467 (E_RNA) where: Base-Base interactions energy: -505.493 where: short stacking energy: -219.089 Base-Backbone interact. energy: -1.796 local terms energy: -310.924689 where: bonds (distance) C4'-P energy: -70.368 bonds (distance) P-C4' energy: -85.882 flat angles C4'-P-C4' energy: -75.562 flat angles P-C4'-P energy: -46.203 tors. eta vs tors. theta energy: -32.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -365.474312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.474312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.474312 (E_RNA) where: Base-Base interactions energy: -133.031 where: short stacking energy: -103.368 Base-Backbone interact. energy: 4.247 local terms energy: -236.691212 where: bonds (distance) C4'-P energy: -86.321 bonds (distance) P-C4' energy: -72.810 flat angles C4'-P-C4' energy: -72.669 flat angles P-C4'-P energy: -22.806 tors. eta vs tors. theta energy: 17.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1616.524041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.524041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.524041 (E_RNA) where: Base-Base interactions energy: -1096.114 where: short stacking energy: -451.310 Base-Backbone interact. energy: 0.402 local terms energy: -520.811616 where: bonds (distance) C4'-P energy: -91.884 bonds (distance) P-C4' energy: -100.865 flat angles C4'-P-C4' energy: -113.094 flat angles P-C4'-P energy: -76.069 tors. eta vs tors. theta energy: -138.900 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: 7 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1473.100462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.100462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.100462 (E_RNA) where: Base-Base interactions energy: -1010.091 where: short stacking energy: -427.577 Base-Backbone interact. energy: -4.012 local terms energy: -458.997148 where: bonds (distance) C4'-P energy: -75.776 bonds (distance) P-C4' energy: -85.051 flat angles C4'-P-C4' energy: -110.565 flat angles P-C4'-P energy: -74.279 tors. eta vs tors. theta energy: -113.327 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: 3 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1420.777679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.777679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.777679 (E_RNA) where: Base-Base interactions energy: -960.404 where: short stacking energy: -429.183 Base-Backbone interact. energy: 0.084 local terms energy: -460.457626 where: bonds (distance) C4'-P energy: -89.056 bonds (distance) P-C4' energy: -94.576 flat angles C4'-P-C4' energy: -108.179 flat angles P-C4'-P energy: -44.195 tors. eta vs tors. theta energy: -124.452 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: 4 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1348.720772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.720772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.720772 (E_RNA) where: Base-Base interactions energy: -918.648 where: short stacking energy: -392.554 Base-Backbone interact. energy: -2.368 local terms energy: -427.704154 where: bonds (distance) C4'-P energy: -68.850 bonds (distance) P-C4' energy: -92.656 flat angles C4'-P-C4' energy: -98.893 flat angles P-C4'-P energy: -57.918 tors. eta vs tors. theta energy: -109.387 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: 32 Temperature: 1.100000 Total energy: -1183.672146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.672146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.672146 (E_RNA) where: Base-Base interactions energy: -756.838 where: short stacking energy: -334.015 Base-Backbone interact. energy: -1.811 local terms energy: -425.023159 where: bonds (distance) C4'-P energy: -84.941 bonds (distance) P-C4' energy: -95.956 flat angles C4'-P-C4' energy: -94.771 flat angles P-C4'-P energy: -67.086 tors. eta vs tors. theta energy: -82.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1154.457401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.457401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.457401 (E_RNA) where: Base-Base interactions energy: -743.314 where: short stacking energy: -305.154 Base-Backbone interact. energy: -0.780 local terms energy: -410.363471 where: bonds (distance) C4'-P energy: -84.782 bonds (distance) P-C4' energy: -87.505 flat angles C4'-P-C4' energy: -98.359 flat angles P-C4'-P energy: -64.985 tors. eta vs tors. theta energy: -74.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -950.330917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.330917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.330917 (E_RNA) where: Base-Base interactions energy: -578.962 where: short stacking energy: -285.875 Base-Backbone interact. energy: 0.145 local terms energy: -371.513869 where: bonds (distance) C4'-P energy: -86.054 bonds (distance) P-C4' energy: -89.212 flat angles C4'-P-C4' energy: -92.334 flat angles P-C4'-P energy: -60.040 tors. eta vs tors. theta energy: -43.873 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: 1 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -891.279806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.279806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.279806 (E_RNA) where: Base-Base interactions energy: -538.903 where: short stacking energy: -230.618 Base-Backbone interact. energy: -0.052 local terms energy: -352.325090 where: bonds (distance) C4'-P energy: -83.799 bonds (distance) P-C4' energy: -94.518 flat angles C4'-P-C4' energy: -84.428 flat angles P-C4'-P energy: -54.675 tors. eta vs tors. theta energy: -34.906 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: 8 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -879.265951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.265951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.265951 (E_RNA) where: Base-Base interactions energy: -536.246 where: short stacking energy: -238.620 Base-Backbone interact. energy: 1.671 local terms energy: -344.690840 where: bonds (distance) C4'-P energy: -90.577 bonds (distance) P-C4' energy: -87.527 flat angles C4'-P-C4' energy: -66.119 flat angles P-C4'-P energy: -53.929 tors. eta vs tors. theta energy: -46.538 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: 10, replica: 10 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -388.592897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.592897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.592897 (E_RNA) where: Base-Base interactions energy: -143.202 where: short stacking energy: -110.429 Base-Backbone interact. energy: 4.410 local terms energy: -249.801263 where: bonds (distance) C4'-P energy: -77.701 bonds (distance) P-C4' energy: -83.518 flat angles C4'-P-C4' energy: -59.141 flat angles P-C4'-P energy: -43.860 tors. eta vs tors. theta energy: 14.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1624.316869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.316869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.316869 (E_RNA) where: Base-Base interactions energy: -1109.083 where: short stacking energy: -468.594 Base-Backbone interact. energy: -2.045 local terms energy: -513.188643 where: bonds (distance) C4'-P energy: -102.981 bonds (distance) P-C4' energy: -96.640 flat angles C4'-P-C4' energy: -108.346 flat angles P-C4'-P energy: -67.796 tors. eta vs tors. theta energy: -137.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1465.110470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.110470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.110470 (E_RNA) where: Base-Base interactions energy: -963.921 where: short stacking energy: -409.438 Base-Backbone interact. energy: -0.946 local terms energy: -500.243555 where: bonds (distance) C4'-P energy: -88.450 bonds (distance) P-C4' energy: -111.656 flat angles C4'-P-C4' energy: -109.536 flat angles P-C4'-P energy: -70.641 tors. eta vs tors. theta energy: -119.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1477.810370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.810370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.810370 (E_RNA) where: Base-Base interactions energy: -1014.651 where: short stacking energy: -431.321 Base-Backbone interact. energy: 0.035 local terms energy: -463.194189 where: bonds (distance) C4'-P energy: -98.363 bonds (distance) P-C4' energy: -97.138 flat angles C4'-P-C4' energy: -90.084 flat angles P-C4'-P energy: -54.211 tors. eta vs tors. theta energy: -123.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1416.187630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.187630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.187630 (E_RNA) where: Base-Base interactions energy: -976.951 where: short stacking energy: -406.019 Base-Backbone interact. energy: 4.853 local terms energy: -444.089478 where: bonds (distance) C4'-P energy: -94.788 bonds (distance) P-C4' energy: -74.925 flat angles C4'-P-C4' energy: -102.407 flat angles P-C4'-P energy: -65.610 tors. eta vs tors. theta energy: -106.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1189.264329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.264329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.264329 (E_RNA) where: Base-Base interactions energy: -765.226 where: short stacking energy: -345.312 Base-Backbone interact. energy: -1.989 local terms energy: -422.049896 where: bonds (distance) C4'-P energy: -93.013 bonds (distance) P-C4' energy: -90.922 flat angles C4'-P-C4' energy: -98.880 flat angles P-C4'-P energy: -51.515 tors. eta vs tors. theta energy: -87.720 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: 6, replica: 9 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1182.394830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.394830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.394830 (E_RNA) where: Base-Base interactions energy: -789.496 where: short stacking energy: -328.984 Base-Backbone interact. energy: 0.968 local terms energy: -393.866714 where: bonds (distance) C4'-P energy: -82.431 bonds (distance) P-C4' energy: -89.487 flat angles C4'-P-C4' energy: -95.558 flat angles P-C4'-P energy: -44.839 tors. eta vs tors. theta energy: -81.553 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: 7, replica: 6 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -955.824233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.824233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.824233 (E_RNA) where: Base-Base interactions energy: -601.362 where: short stacking energy: -262.133 Base-Backbone interact. energy: 2.019 local terms energy: -356.481060 where: bonds (distance) C4'-P energy: -78.748 bonds (distance) P-C4' energy: -81.400 flat angles C4'-P-C4' energy: -90.001 flat angles P-C4'-P energy: -55.304 tors. eta vs tors. theta energy: -51.028 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: 1 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -926.614363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.614363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.614363 (E_RNA) where: Base-Base interactions energy: -589.470 where: short stacking energy: -245.833 Base-Backbone interact. energy: -1.416 local terms energy: -335.728067 where: bonds (distance) C4'-P energy: -75.578 bonds (distance) P-C4' energy: -75.463 flat angles C4'-P-C4' energy: -72.453 flat angles P-C4'-P energy: -64.224 tors. eta vs tors. theta energy: -48.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -936.144684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.144684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.144684 (E_RNA) where: Base-Base interactions energy: -606.457 where: short stacking energy: -266.670 Base-Backbone interact. energy: -2.543 local terms energy: -327.143886 where: bonds (distance) C4'-P energy: -75.507 bonds (distance) P-C4' energy: -91.351 flat angles C4'-P-C4' energy: -72.916 flat angles P-C4'-P energy: -36.040 tors. eta vs tors. theta energy: -51.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -362.921436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.921436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.921436 (E_RNA) where: Base-Base interactions energy: -116.107 where: short stacking energy: -100.846 Base-Backbone interact. energy: -2.491 local terms energy: -244.323922 where: bonds (distance) C4'-P energy: -69.118 bonds (distance) P-C4' energy: -83.920 flat angles C4'-P-C4' energy: -68.180 flat angles P-C4'-P energy: -42.122 tors. eta vs tors. theta energy: 19.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1638.716937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.716937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.716937 (E_RNA) where: Base-Base interactions energy: -1120.939 where: short stacking energy: -479.844 Base-Backbone interact. energy: -5.270 local terms energy: -512.507715 where: bonds (distance) C4'-P energy: -90.433 bonds (distance) P-C4' energy: -85.595 flat angles C4'-P-C4' energy: -114.189 flat angles P-C4'-P energy: -76.725 tors. eta vs tors. theta energy: -145.566 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: 7 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1475.253286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.253286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.253286 (E_RNA) where: Base-Base interactions energy: -990.066 where: short stacking energy: -423.613 Base-Backbone interact. energy: 0.175 local terms energy: -485.361612 where: bonds (distance) C4'-P energy: -92.150 bonds (distance) P-C4' energy: -106.501 flat angles C4'-P-C4' energy: -108.368 flat angles P-C4'-P energy: -62.055 tors. eta vs tors. theta energy: -116.288 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: 3 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1479.329019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.329019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.329019 (E_RNA) where: Base-Base interactions energy: -1008.225 where: short stacking energy: -437.725 Base-Backbone interact. energy: -1.368 local terms energy: -469.736837 where: bonds (distance) C4'-P energy: -83.524 bonds (distance) P-C4' energy: -88.071 flat angles C4'-P-C4' energy: -101.898 flat angles P-C4'-P energy: -64.069 tors. eta vs tors. theta energy: -132.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1404.274535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.274535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.274535 (E_RNA) where: Base-Base interactions energy: -971.879 where: short stacking energy: -398.516 Base-Backbone interact. energy: 0.667 local terms energy: -433.063346 where: bonds (distance) C4'-P energy: -85.640 bonds (distance) P-C4' energy: -73.073 flat angles C4'-P-C4' energy: -88.521 flat angles P-C4'-P energy: -73.746 tors. eta vs tors. theta energy: -112.084 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: 9 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1238.836508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.836508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.836508 (E_RNA) where: Base-Base interactions energy: -803.980 where: short stacking energy: -346.251 Base-Backbone interact. energy: -2.374 local terms energy: -432.482210 where: bonds (distance) C4'-P energy: -87.475 bonds (distance) P-C4' energy: -90.271 flat angles C4'-P-C4' energy: -96.456 flat angles P-C4'-P energy: -68.141 tors. eta vs tors. theta energy: -90.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1120.278021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.278021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.278021 (E_RNA) where: Base-Base interactions energy: -721.646 where: short stacking energy: -319.517 Base-Backbone interact. energy: 1.525 local terms energy: -400.157622 where: bonds (distance) C4'-P energy: -86.370 bonds (distance) P-C4' energy: -86.631 flat angles C4'-P-C4' energy: -86.357 flat angles P-C4'-P energy: -57.190 tors. eta vs tors. theta energy: -83.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1027.165963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.165963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.165963 (E_RNA) where: Base-Base interactions energy: -646.337 where: short stacking energy: -293.213 Base-Backbone interact. energy: 1.020 local terms energy: -381.848290 where: bonds (distance) C4'-P energy: -74.468 bonds (distance) P-C4' energy: -79.850 flat angles C4'-P-C4' energy: -93.003 flat angles P-C4'-P energy: -59.642 tors. eta vs tors. theta energy: -74.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -923.855388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.855388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.855388 (E_RNA) where: Base-Base interactions energy: -554.444 where: short stacking energy: -259.518 Base-Backbone interact. energy: 0.047 local terms energy: -369.458424 where: bonds (distance) C4'-P energy: -83.209 bonds (distance) P-C4' energy: -94.012 flat angles C4'-P-C4' energy: -83.710 flat angles P-C4'-P energy: -51.357 tors. eta vs tors. theta energy: -57.170 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: 9, replica: 8 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -985.398183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.398183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.398183 (E_RNA) where: Base-Base interactions energy: -639.759 where: short stacking energy: -278.097 Base-Backbone interact. energy: 2.572 local terms energy: -348.211041 where: bonds (distance) C4'-P energy: -74.558 bonds (distance) P-C4' energy: -75.361 flat angles C4'-P-C4' energy: -87.505 flat angles P-C4'-P energy: -52.825 tors. eta vs tors. theta energy: -57.962 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: 10 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -371.059758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.059758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.059758 (E_RNA) where: Base-Base interactions energy: -134.036 where: short stacking energy: -112.528 Base-Backbone interact. energy: 2.072 local terms energy: -239.096159 where: bonds (distance) C4'-P energy: -62.661 bonds (distance) P-C4' energy: -87.542 flat angles C4'-P-C4' energy: -55.726 flat angles P-C4'-P energy: -40.453 tors. eta vs tors. theta energy: 7.285 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: 2 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1635.662977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.662977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.662977 (E_RNA) where: Base-Base interactions energy: -1100.363 where: short stacking energy: -471.577 Base-Backbone interact. energy: -3.352 local terms energy: -531.947444 where: bonds (distance) C4'-P energy: -106.417 bonds (distance) P-C4' energy: -99.513 flat angles C4'-P-C4' energy: -113.787 flat angles P-C4'-P energy: -72.837 tors. eta vs tors. theta energy: -139.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1458.435199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.435199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.435199 (E_RNA) where: Base-Base interactions energy: -973.469 where: short stacking energy: -406.384 Base-Backbone interact. energy: 0.397 local terms energy: -485.363954 where: bonds (distance) C4'-P energy: -92.387 bonds (distance) P-C4' energy: -108.237 flat angles C4'-P-C4' energy: -110.703 flat angles P-C4'-P energy: -61.627 tors. eta vs tors. theta energy: -112.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1454.210409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.210409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.210409 (E_RNA) where: Base-Base interactions energy: -976.453 where: short stacking energy: -420.243 Base-Backbone interact. energy: -3.903 local terms energy: -473.854519 where: bonds (distance) C4'-P energy: -96.932 bonds (distance) P-C4' energy: -98.819 flat angles C4'-P-C4' energy: -99.165 flat angles P-C4'-P energy: -66.423 tors. eta vs tors. theta energy: -112.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1480.951535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.951535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.951535 (E_RNA) where: Base-Base interactions energy: -1029.847 where: short stacking energy: -410.955 Base-Backbone interact. energy: -0.642 local terms energy: -450.462741 where: bonds (distance) C4'-P energy: -71.941 bonds (distance) P-C4' energy: -97.465 flat angles C4'-P-C4' energy: -103.655 flat angles P-C4'-P energy: -70.808 tors. eta vs tors. theta energy: -106.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1296.421855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.421855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.421855 (E_RNA) where: Base-Base interactions energy: -874.732 where: short stacking energy: -370.348 Base-Backbone interact. energy: -3.454 local terms energy: -418.236112 where: bonds (distance) C4'-P energy: -71.594 bonds (distance) P-C4' energy: -86.038 flat angles C4'-P-C4' energy: -104.641 flat angles P-C4'-P energy: -55.612 tors. eta vs tors. theta energy: -100.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1109.464803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.464803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.464803 (E_RNA) where: Base-Base interactions energy: -710.818 where: short stacking energy: -298.344 Base-Backbone interact. energy: -1.187 local terms energy: -397.459948 where: bonds (distance) C4'-P energy: -73.064 bonds (distance) P-C4' energy: -97.475 flat angles C4'-P-C4' energy: -87.261 flat angles P-C4'-P energy: -58.508 tors. eta vs tors. theta energy: -81.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1089.729247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.729247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.729247 (E_RNA) where: Base-Base interactions energy: -702.057 where: short stacking energy: -297.685 Base-Backbone interact. energy: 0.300 local terms energy: -387.973187 where: bonds (distance) C4'-P energy: -89.123 bonds (distance) P-C4' energy: -82.471 flat angles C4'-P-C4' energy: -88.707 flat angles P-C4'-P energy: -53.547 tors. eta vs tors. theta energy: -74.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -1004.516738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.516738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.516738 (E_RNA) where: Base-Base interactions energy: -622.236 where: short stacking energy: -288.857 Base-Backbone interact. energy: -2.869 local terms energy: -379.411486 where: bonds (distance) C4'-P energy: -89.166 bonds (distance) P-C4' energy: -83.305 flat angles C4'-P-C4' energy: -86.722 flat angles P-C4'-P energy: -45.082 tors. eta vs tors. theta energy: -75.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -844.240146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.240146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.240146 (E_RNA) where: Base-Base interactions energy: -512.282 where: short stacking energy: -239.666 Base-Backbone interact. energy: -0.748 local terms energy: -331.210540 where: bonds (distance) C4'-P energy: -82.767 bonds (distance) P-C4' energy: -83.974 flat angles C4'-P-C4' energy: -81.516 flat angles P-C4'-P energy: -48.248 tors. eta vs tors. theta energy: -34.706 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: 10 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -368.123178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.123178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.123178 (E_RNA) where: Base-Base interactions energy: -113.592 where: short stacking energy: -93.081 Base-Backbone interact. energy: 3.008 local terms energy: -257.539361 where: bonds (distance) C4'-P energy: -77.645 bonds (distance) P-C4' energy: -79.631 flat angles C4'-P-C4' energy: -62.777 flat angles P-C4'-P energy: -51.025 tors. eta vs tors. theta energy: 13.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1628.519608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.519608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.519608 (E_RNA) where: Base-Base interactions energy: -1133.791 where: short stacking energy: -458.445 Base-Backbone interact. energy: 0.322 local terms energy: -495.050828 where: bonds (distance) C4'-P energy: -97.031 bonds (distance) P-C4' energy: -98.627 flat angles C4'-P-C4' energy: -97.494 flat angles P-C4'-P energy: -70.323 tors. eta vs tors. theta energy: -131.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1470.919812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.919812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.919812 (E_RNA) where: Base-Base interactions energy: -996.967 where: short stacking energy: -438.840 Base-Backbone interact. energy: -1.876 local terms energy: -472.076585 where: bonds (distance) C4'-P energy: -87.059 bonds (distance) P-C4' energy: -88.082 flat angles C4'-P-C4' energy: -106.021 flat angles P-C4'-P energy: -64.155 tors. eta vs tors. theta energy: -126.759 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: 4 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1544.997764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.997764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.997764 (E_RNA) where: Base-Base interactions energy: -1051.501 where: short stacking energy: -436.296 Base-Backbone interact. energy: -1.142 local terms energy: -492.354778 where: bonds (distance) C4'-P energy: -98.421 bonds (distance) P-C4' energy: -81.726 flat angles C4'-P-C4' energy: -111.103 flat angles P-C4'-P energy: -75.862 tors. eta vs tors. theta energy: -125.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1398.937854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.937854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.937854 (E_RNA) where: Base-Base interactions energy: -971.200 where: short stacking energy: -403.961 Base-Backbone interact. energy: -2.949 local terms energy: -424.788570 where: bonds (distance) C4'-P energy: -68.618 bonds (distance) P-C4' energy: -83.674 flat angles C4'-P-C4' energy: -104.549 flat angles P-C4'-P energy: -57.469 tors. eta vs tors. theta energy: -110.479 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: 36 Temperature: 1.100000 Total energy: -1343.234439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.234439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.234439 (E_RNA) where: Base-Base interactions energy: -867.201 where: short stacking energy: -361.146 Base-Backbone interact. energy: -1.324 local terms energy: -474.709106 where: bonds (distance) C4'-P energy: -81.743 bonds (distance) P-C4' energy: -100.688 flat angles C4'-P-C4' energy: -114.121 flat angles P-C4'-P energy: -70.628 tors. eta vs tors. theta energy: -107.529 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: 36 Temperature: 1.150000 Total energy: -1071.097778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.097778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.097778 (E_RNA) where: Base-Base interactions energy: -677.958 where: short stacking energy: -289.440 Base-Backbone interact. energy: -1.453 local terms energy: -391.687223 where: bonds (distance) C4'-P energy: -74.084 bonds (distance) P-C4' energy: -93.227 flat angles C4'-P-C4' energy: -93.830 flat angles P-C4'-P energy: -65.591 tors. eta vs tors. theta energy: -64.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1133.083643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.083643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.083643 (E_RNA) where: Base-Base interactions energy: -770.264 where: short stacking energy: -335.169 Base-Backbone interact. energy: 1.003 local terms energy: -363.822309 where: bonds (distance) C4'-P energy: -69.120 bonds (distance) P-C4' energy: -77.182 flat angles C4'-P-C4' energy: -80.049 flat angles P-C4'-P energy: -53.967 tors. eta vs tors. theta energy: -83.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1027.267899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.267899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.267899 (E_RNA) where: Base-Base interactions energy: -674.553 where: short stacking energy: -297.549 Base-Backbone interact. energy: -0.750 local terms energy: -351.965229 where: bonds (distance) C4'-P energy: -80.490 bonds (distance) P-C4' energy: -61.251 flat angles C4'-P-C4' energy: -84.624 flat angles P-C4'-P energy: -52.846 tors. eta vs tors. theta energy: -72.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -854.119254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.119254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.119254 (E_RNA) where: Base-Base interactions energy: -513.714 where: short stacking energy: -224.330 Base-Backbone interact. energy: -1.903 local terms energy: -338.502600 where: bonds (distance) C4'-P energy: -60.924 bonds (distance) P-C4' energy: -98.219 flat angles C4'-P-C4' energy: -75.143 flat angles P-C4'-P energy: -64.342 tors. eta vs tors. theta energy: -39.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -373.309694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.309694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.309694 (E_RNA) where: Base-Base interactions energy: -110.036 where: short stacking energy: -95.502 Base-Backbone interact. energy: -1.427 local terms energy: -261.846393 where: bonds (distance) C4'-P energy: -81.281 bonds (distance) P-C4' energy: -87.630 flat angles C4'-P-C4' energy: -75.691 flat angles P-C4'-P energy: -43.711 tors. eta vs tors. theta energy: 26.466 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: 1, replica: 2 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1622.681596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.681596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.681596 (E_RNA) where: Base-Base interactions energy: -1092.905 where: short stacking energy: -444.058 Base-Backbone interact. energy: -3.448 local terms energy: -526.329204 where: bonds (distance) C4'-P energy: -91.266 bonds (distance) P-C4' energy: -103.776 flat angles C4'-P-C4' energy: -111.452 flat angles P-C4'-P energy: -79.891 tors. eta vs tors. theta energy: -139.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1594.053189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.053189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.053189 (E_RNA) where: Base-Base interactions energy: -1092.018 where: short stacking energy: -451.374 Base-Backbone interact. energy: -0.378 local terms energy: -501.657686 where: bonds (distance) C4'-P energy: -93.604 bonds (distance) P-C4' energy: -96.426 flat angles C4'-P-C4' energy: -109.798 flat angles P-C4'-P energy: -74.564 tors. eta vs tors. theta energy: -127.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1420.717961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.717961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.717961 (E_RNA) where: Base-Base interactions energy: -946.724 where: short stacking energy: -413.804 Base-Backbone interact. energy: -0.730 local terms energy: -473.264334 where: bonds (distance) C4'-P energy: -90.356 bonds (distance) P-C4' energy: -98.480 flat angles C4'-P-C4' energy: -90.547 flat angles P-C4'-P energy: -70.934 tors. eta vs tors. theta energy: -122.947 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: 9 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1399.172602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.172602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.172602 (E_RNA) where: Base-Base interactions energy: -942.544 where: short stacking energy: -400.531 Base-Backbone interact. energy: 0.448 local terms energy: -457.077209 where: bonds (distance) C4'-P energy: -80.293 bonds (distance) P-C4' energy: -99.046 flat angles C4'-P-C4' energy: -97.812 flat angles P-C4'-P energy: -72.452 tors. eta vs tors. theta energy: -107.474 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: 3 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1348.672923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.672923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.672923 (E_RNA) where: Base-Base interactions energy: -912.973 where: short stacking energy: -379.648 Base-Backbone interact. energy: -0.065 local terms energy: -435.635362 where: bonds (distance) C4'-P energy: -84.788 bonds (distance) P-C4' energy: -83.682 flat angles C4'-P-C4' energy: -111.732 flat angles P-C4'-P energy: -58.502 tors. eta vs tors. theta energy: -96.931 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: 1 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1268.091670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.091670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.091670 (E_RNA) where: Base-Base interactions energy: -855.386 where: short stacking energy: -362.473 Base-Backbone interact. energy: 6.358 local terms energy: -419.064303 where: bonds (distance) C4'-P energy: -75.947 bonds (distance) P-C4' energy: -87.156 flat angles C4'-P-C4' energy: -96.339 flat angles P-C4'-P energy: -63.229 tors. eta vs tors. theta energy: -96.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1042.775091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.775091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.775091 (E_RNA) where: Base-Base interactions energy: -658.929 where: short stacking energy: -294.637 Base-Backbone interact. energy: 4.300 local terms energy: -388.146145 where: bonds (distance) C4'-P energy: -81.204 bonds (distance) P-C4' energy: -83.476 flat angles C4'-P-C4' energy: -87.929 flat angles P-C4'-P energy: -65.148 tors. eta vs tors. theta energy: -70.390 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: 8 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1054.534881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.534881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.534881 (E_RNA) where: Base-Base interactions energy: -691.317 where: short stacking energy: -301.093 Base-Backbone interact. energy: -1.590 local terms energy: -361.628399 where: bonds (distance) C4'-P energy: -70.818 bonds (distance) P-C4' energy: -73.730 flat angles C4'-P-C4' energy: -81.162 flat angles P-C4'-P energy: -58.757 tors. eta vs tors. theta energy: -77.162 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: 37 Temperature: 1.300000 Total energy: -833.180446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.180446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.180446 (E_RNA) where: Base-Base interactions energy: -504.018 where: short stacking energy: -256.863 Base-Backbone interact. energy: -0.096 local terms energy: -329.066106 where: bonds (distance) C4'-P energy: -77.592 bonds (distance) P-C4' energy: -71.719 flat angles C4'-P-C4' energy: -83.324 flat angles P-C4'-P energy: -51.665 tors. eta vs tors. theta energy: -44.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -356.397565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.397565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.397565 (E_RNA) where: Base-Base interactions energy: -147.665 where: short stacking energy: -108.553 Base-Backbone interact. energy: -0.303 local terms energy: -208.429717 where: bonds (distance) C4'-P energy: -66.364 bonds (distance) P-C4' energy: -77.867 flat angles C4'-P-C4' energy: -43.152 flat angles P-C4'-P energy: -40.113 tors. eta vs tors. theta energy: 19.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1637.547400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.547400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.547400 (E_RNA) where: Base-Base interactions energy: -1106.211 where: short stacking energy: -449.279 Base-Backbone interact. energy: -3.965 local terms energy: -527.371743 where: bonds (distance) C4'-P energy: -102.814 bonds (distance) P-C4' energy: -103.822 flat angles C4'-P-C4' energy: -102.628 flat angles P-C4'-P energy: -79.267 tors. eta vs tors. theta energy: -138.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1601.208345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.208345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.208345 (E_RNA) where: Base-Base interactions energy: -1106.576 where: short stacking energy: -419.106 Base-Backbone interact. energy: 1.168 local terms energy: -495.800328 where: bonds (distance) C4'-P energy: -91.306 bonds (distance) P-C4' energy: -95.983 flat angles C4'-P-C4' energy: -112.966 flat angles P-C4'-P energy: -69.732 tors. eta vs tors. theta energy: -125.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1465.929299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.929299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.929299 (E_RNA) where: Base-Base interactions energy: -983.098 where: short stacking energy: -411.349 Base-Backbone interact. energy: 0.486 local terms energy: -483.316511 where: bonds (distance) C4'-P energy: -95.973 bonds (distance) P-C4' energy: -102.400 flat angles C4'-P-C4' energy: -97.063 flat angles P-C4'-P energy: -63.957 tors. eta vs tors. theta energy: -123.924 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: 4, replica: 7 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1405.187493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.187493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.187493 (E_RNA) where: Base-Base interactions energy: -932.386 where: short stacking energy: -383.744 Base-Backbone interact. energy: -0.491 local terms energy: -472.310567 where: bonds (distance) C4'-P energy: -90.223 bonds (distance) P-C4' energy: -93.608 flat angles C4'-P-C4' energy: -109.778 flat angles P-C4'-P energy: -66.201 tors. eta vs tors. theta energy: -112.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1304.808656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.808656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.808656 (E_RNA) where: Base-Base interactions energy: -866.077 where: short stacking energy: -367.429 Base-Backbone interact. energy: -0.716 local terms energy: -438.015836 where: bonds (distance) C4'-P energy: -80.315 bonds (distance) P-C4' energy: -99.318 flat angles C4'-P-C4' energy: -99.050 flat angles P-C4'-P energy: -64.361 tors. eta vs tors. theta energy: -94.971 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: 3 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1232.660527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.660527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.660527 (E_RNA) where: Base-Base interactions energy: -822.051 where: short stacking energy: -378.235 Base-Backbone interact. energy: -0.172 local terms energy: -410.437104 where: bonds (distance) C4'-P energy: -68.149 bonds (distance) P-C4' energy: -90.103 flat angles C4'-P-C4' energy: -90.974 flat angles P-C4'-P energy: -69.400 tors. eta vs tors. theta energy: -91.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1074.555657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.555657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.555657 (E_RNA) where: Base-Base interactions energy: -683.848 where: short stacking energy: -299.937 Base-Backbone interact. energy: -0.417 local terms energy: -390.290760 where: bonds (distance) C4'-P energy: -86.159 bonds (distance) P-C4' energy: -88.381 flat angles C4'-P-C4' energy: -87.399 flat angles P-C4'-P energy: -62.618 tors. eta vs tors. theta energy: -65.732 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: 5 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -1002.668322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.668322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.668322 (E_RNA) where: Base-Base interactions energy: -641.509 where: short stacking energy: -280.325 Base-Backbone interact. energy: -1.152 local terms energy: -360.006642 where: bonds (distance) C4'-P energy: -80.630 bonds (distance) P-C4' energy: -80.621 flat angles C4'-P-C4' energy: -79.342 flat angles P-C4'-P energy: -54.538 tors. eta vs tors. theta energy: -64.876 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: 9, replica: 6 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -836.638864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.638864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.638864 (E_RNA) where: Base-Base interactions energy: -527.470 where: short stacking energy: -231.251 Base-Backbone interact. energy: -0.180 local terms energy: -308.989364 where: bonds (distance) C4'-P energy: -72.416 bonds (distance) P-C4' energy: -76.417 flat angles C4'-P-C4' energy: -84.580 flat angles P-C4'-P energy: -51.105 tors. eta vs tors. theta energy: -24.472 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: 10 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -351.587827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.587827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.587827 (E_RNA) where: Base-Base interactions energy: -108.621 where: short stacking energy: -104.438 Base-Backbone interact. energy: 0.085 local terms energy: -243.051625 where: bonds (distance) C4'-P energy: -90.333 bonds (distance) P-C4' energy: -77.969 flat angles C4'-P-C4' energy: -48.133 flat angles P-C4'-P energy: -47.085 tors. eta vs tors. theta energy: 20.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1620.398138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.398138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.398138 (E_RNA) where: Base-Base interactions energy: -1111.457 where: short stacking energy: -452.941 Base-Backbone interact. energy: -1.467 local terms energy: -507.473939 where: bonds (distance) C4'-P energy: -91.435 bonds (distance) P-C4' energy: -96.362 flat angles C4'-P-C4' energy: -110.432 flat angles P-C4'-P energy: -71.678 tors. eta vs tors. theta energy: -137.566 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: 39 Temperature: 0.950000 Total energy: -1623.862707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.862707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.862707 (E_RNA) where: Base-Base interactions energy: -1123.532 where: short stacking energy: -456.595 Base-Backbone interact. energy: -2.395 local terms energy: -497.934838 where: bonds (distance) C4'-P energy: -97.665 bonds (distance) P-C4' energy: -94.302 flat angles C4'-P-C4' energy: -100.970 flat angles P-C4'-P energy: -67.255 tors. eta vs tors. theta energy: -137.743 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: 9 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1452.812801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.812801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.812801 (E_RNA) where: Base-Base interactions energy: -956.182 where: short stacking energy: -417.903 Base-Backbone interact. energy: -0.790 local terms energy: -495.840804 where: bonds (distance) C4'-P energy: -95.940 bonds (distance) P-C4' energy: -96.357 flat angles C4'-P-C4' energy: -105.370 flat angles P-C4'-P energy: -76.457 tors. eta vs tors. theta energy: -121.716 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: 7 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1392.775433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.775433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.775433 (E_RNA) where: Base-Base interactions energy: -941.080 where: short stacking energy: -407.619 Base-Backbone interact. energy: -3.591 local terms energy: -448.104821 where: bonds (distance) C4'-P energy: -76.596 bonds (distance) P-C4' energy: -82.963 flat angles C4'-P-C4' energy: -94.210 flat angles P-C4'-P energy: -80.811 tors. eta vs tors. theta energy: -113.526 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: 1 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1324.189585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.189585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.189585 (E_RNA) where: Base-Base interactions energy: -866.713 where: short stacking energy: -360.177 Base-Backbone interact. energy: -2.468 local terms energy: -455.008698 where: bonds (distance) C4'-P energy: -96.552 bonds (distance) P-C4' energy: -92.295 flat angles C4'-P-C4' energy: -99.771 flat angles P-C4'-P energy: -73.008 tors. eta vs tors. theta energy: -93.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1213.656820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.656820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.656820 (E_RNA) where: Base-Base interactions energy: -809.296 where: short stacking energy: -363.357 Base-Backbone interact. energy: -0.189 local terms energy: -404.171812 where: bonds (distance) C4'-P energy: -83.738 bonds (distance) P-C4' energy: -88.688 flat angles C4'-P-C4' energy: -89.037 flat angles P-C4'-P energy: -51.209 tors. eta vs tors. theta energy: -91.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1123.413549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.413549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.413549 (E_RNA) where: Base-Base interactions energy: -742.276 where: short stacking energy: -308.783 Base-Backbone interact. energy: -0.484 local terms energy: -380.653939 where: bonds (distance) C4'-P energy: -66.342 bonds (distance) P-C4' energy: -92.619 flat angles C4'-P-C4' energy: -90.883 flat angles P-C4'-P energy: -55.419 tors. eta vs tors. theta energy: -75.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -978.858549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.858549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.858549 (E_RNA) where: Base-Base interactions energy: -633.625 where: short stacking energy: -295.068 Base-Backbone interact. energy: -0.644 local terms energy: -344.589551 where: bonds (distance) C4'-P energy: -70.358 bonds (distance) P-C4' energy: -87.259 flat angles C4'-P-C4' energy: -70.026 flat angles P-C4'-P energy: -51.448 tors. eta vs tors. theta energy: -65.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -816.870729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.870729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.870729 (E_RNA) where: Base-Base interactions energy: -499.108 where: short stacking energy: -216.199 Base-Backbone interact. energy: -1.100 local terms energy: -316.662501 where: bonds (distance) C4'-P energy: -81.523 bonds (distance) P-C4' energy: -71.525 flat angles C4'-P-C4' energy: -75.719 flat angles P-C4'-P energy: -54.463 tors. eta vs tors. theta energy: -33.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -365.927237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.927237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.927237 (E_RNA) where: Base-Base interactions energy: -121.610 where: short stacking energy: -104.897 Base-Backbone interact. energy: -1.406 local terms energy: -242.910970 where: bonds (distance) C4'-P energy: -75.541 bonds (distance) P-C4' energy: -85.611 flat angles C4'-P-C4' energy: -68.561 flat angles P-C4'-P energy: -32.470 tors. eta vs tors. theta energy: 19.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1644.701612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.701612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.701612 (E_RNA) where: Base-Base interactions energy: -1118.008 where: short stacking energy: -473.993 Base-Backbone interact. energy: -3.695 local terms energy: -522.998483 where: bonds (distance) C4'-P energy: -89.790 bonds (distance) P-C4' energy: -101.376 flat angles C4'-P-C4' energy: -111.134 flat angles P-C4'-P energy: -73.854 tors. eta vs tors. theta energy: -146.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1638.656130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.656130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.656130 (E_RNA) where: Base-Base interactions energy: -1163.149 where: short stacking energy: -452.839 Base-Backbone interact. energy: -1.088 local terms energy: -474.419305 where: bonds (distance) C4'-P energy: -83.420 bonds (distance) P-C4' energy: -99.604 flat angles C4'-P-C4' energy: -104.033 flat angles P-C4'-P energy: -58.195 tors. eta vs tors. theta energy: -129.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1469.276340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.276340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.276340 (E_RNA) where: Base-Base interactions energy: -998.977 where: short stacking energy: -420.264 Base-Backbone interact. energy: 1.028 local terms energy: -471.328059 where: bonds (distance) C4'-P energy: -84.467 bonds (distance) P-C4' energy: -91.188 flat angles C4'-P-C4' energy: -107.017 flat angles P-C4'-P energy: -67.644 tors. eta vs tors. theta energy: -121.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1360.387844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.387844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.387844 (E_RNA) where: Base-Base interactions energy: -917.248 where: short stacking energy: -389.711 Base-Backbone interact. energy: -1.090 local terms energy: -442.050119 where: bonds (distance) C4'-P energy: -86.801 bonds (distance) P-C4' energy: -87.261 flat angles C4'-P-C4' energy: -98.886 flat angles P-C4'-P energy: -67.660 tors. eta vs tors. theta energy: -101.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1348.392445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.392445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.392445 (E_RNA) where: Base-Base interactions energy: -896.746 where: short stacking energy: -389.239 Base-Backbone interact. energy: -1.337 local terms energy: -450.309760 where: bonds (distance) C4'-P energy: -93.597 bonds (distance) P-C4' energy: -88.450 flat angles C4'-P-C4' energy: -88.304 flat angles P-C4'-P energy: -71.883 tors. eta vs tors. theta energy: -108.076 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: 40 Temperature: 1.150000 Total energy: -1173.762826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.762826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.762826 (E_RNA) where: Base-Base interactions energy: -774.984 where: short stacking energy: -338.114 Base-Backbone interact. energy: -2.759 local terms energy: -396.019974 where: bonds (distance) C4'-P energy: -79.552 bonds (distance) P-C4' energy: -85.465 flat angles C4'-P-C4' energy: -80.198 flat angles P-C4'-P energy: -64.705 tors. eta vs tors. theta energy: -86.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1139.434416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.434416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.434416 (E_RNA) where: Base-Base interactions energy: -759.228 where: short stacking energy: -318.513 Base-Backbone interact. energy: -0.606 local terms energy: -379.600418 where: bonds (distance) C4'-P energy: -74.549 bonds (distance) P-C4' energy: -81.831 flat angles C4'-P-C4' energy: -85.690 flat angles P-C4'-P energy: -63.047 tors. eta vs tors. theta energy: -74.483 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: 5 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -937.378460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.378460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.378460 (E_RNA) where: Base-Base interactions energy: -575.704 where: short stacking energy: -248.993 Base-Backbone interact. energy: 0.798 local terms energy: -362.472200 where: bonds (distance) C4'-P energy: -86.087 bonds (distance) P-C4' energy: -79.629 flat angles C4'-P-C4' energy: -89.225 flat angles P-C4'-P energy: -41.964 tors. eta vs tors. theta energy: -65.568 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: 40 Temperature: 1.300000 Total energy: -861.193709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.193709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.193709 (E_RNA) where: Base-Base interactions energy: -549.090 where: short stacking energy: -234.502 Base-Backbone interact. energy: -1.304 local terms energy: -310.799769 where: bonds (distance) C4'-P energy: -72.821 bonds (distance) P-C4' energy: -80.107 flat angles C4'-P-C4' energy: -74.783 flat angles P-C4'-P energy: -52.899 tors. eta vs tors. theta energy: -30.189 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: 10 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -430.254528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.254528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.254528 (E_RNA) where: Base-Base interactions energy: -184.985 where: short stacking energy: -116.022 Base-Backbone interact. energy: 0.561 local terms energy: -245.830382 where: bonds (distance) C4'-P energy: -69.097 bonds (distance) P-C4' energy: -88.034 flat angles C4'-P-C4' energy: -54.894 flat angles P-C4'-P energy: -42.961 tors. eta vs tors. theta energy: 9.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1624.917290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.917290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.917290 (E_RNA) where: Base-Base interactions energy: -1119.093 where: short stacking energy: -482.139 Base-Backbone interact. energy: -0.089 local terms energy: -505.735415 where: bonds (distance) C4'-P energy: -87.526 bonds (distance) P-C4' energy: -105.551 flat angles C4'-P-C4' energy: -108.950 flat angles P-C4'-P energy: -71.837 tors. eta vs tors. theta energy: -131.870 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: 4 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1665.205684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.205684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.205684 (E_RNA) where: Base-Base interactions energy: -1162.311 where: short stacking energy: -490.946 Base-Backbone interact. energy: -2.169 local terms energy: -500.725749 where: bonds (distance) C4'-P energy: -90.401 bonds (distance) P-C4' energy: -89.818 flat angles C4'-P-C4' energy: -108.407 flat angles P-C4'-P energy: -70.472 tors. eta vs tors. theta energy: -141.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1485.562542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.562542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.562542 (E_RNA) where: Base-Base interactions energy: -1029.767 where: short stacking energy: -435.740 Base-Backbone interact. energy: 3.001 local terms energy: -458.797047 where: bonds (distance) C4'-P energy: -82.582 bonds (distance) P-C4' energy: -86.086 flat angles C4'-P-C4' energy: -95.863 flat angles P-C4'-P energy: -73.443 tors. eta vs tors. theta energy: -120.823 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: 1 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1412.536411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.536411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.536411 (E_RNA) where: Base-Base interactions energy: -935.790 where: short stacking energy: -415.215 Base-Backbone interact. energy: 0.401 local terms energy: -477.146782 where: bonds (distance) C4'-P energy: -98.205 bonds (distance) P-C4' energy: -96.271 flat angles C4'-P-C4' energy: -94.144 flat angles P-C4'-P energy: -72.443 tors. eta vs tors. theta energy: -116.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1361.368423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.368423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.368423 (E_RNA) where: Base-Base interactions energy: -903.047 where: short stacking energy: -382.800 Base-Backbone interact. energy: -2.538 local terms energy: -455.783505 where: bonds (distance) C4'-P energy: -85.812 bonds (distance) P-C4' energy: -97.180 flat angles C4'-P-C4' energy: -96.260 flat angles P-C4'-P energy: -70.850 tors. eta vs tors. theta energy: -105.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1216.956137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.956137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.956137 (E_RNA) where: Base-Base interactions energy: -830.104 where: short stacking energy: -361.227 Base-Backbone interact. energy: -0.196 local terms energy: -386.656120 where: bonds (distance) C4'-P energy: -68.620 bonds (distance) P-C4' energy: -80.908 flat angles C4'-P-C4' energy: -83.108 flat angles P-C4'-P energy: -57.797 tors. eta vs tors. theta energy: -96.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1216.544839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.544839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.544839 (E_RNA) where: Base-Base interactions energy: -810.398 where: short stacking energy: -345.871 Base-Backbone interact. energy: -1.277 local terms energy: -404.869473 where: bonds (distance) C4'-P energy: -72.080 bonds (distance) P-C4' energy: -93.747 flat angles C4'-P-C4' energy: -101.305 flat angles P-C4'-P energy: -47.164 tors. eta vs tors. theta energy: -90.574 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: 5 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -954.576254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.576254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.576254 (E_RNA) where: Base-Base interactions energy: -563.409 where: short stacking energy: -262.005 Base-Backbone interact. energy: 1.563 local terms energy: -392.729750 where: bonds (distance) C4'-P energy: -82.678 bonds (distance) P-C4' energy: -89.811 flat angles C4'-P-C4' energy: -84.885 flat angles P-C4'-P energy: -72.166 tors. eta vs tors. theta energy: -63.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -850.525193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.525193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.525193 (E_RNA) where: Base-Base interactions energy: -540.750 where: short stacking energy: -242.770 Base-Backbone interact. energy: -0.553 local terms energy: -309.221691 where: bonds (distance) C4'-P energy: -86.334 bonds (distance) P-C4' energy: -65.271 flat angles C4'-P-C4' energy: -63.290 flat angles P-C4'-P energy: -48.539 tors. eta vs tors. theta energy: -45.788 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: 10 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -442.919652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.919652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.919652 (E_RNA) where: Base-Base interactions energy: -182.346 where: short stacking energy: -120.380 Base-Backbone interact. energy: -2.160 local terms energy: -258.414128 where: bonds (distance) C4'-P energy: -73.679 bonds (distance) P-C4' energy: -89.827 flat angles C4'-P-C4' energy: -73.098 flat angles P-C4'-P energy: -36.895 tors. eta vs tors. theta energy: 15.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1704.236010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.236010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.236010 (E_RNA) where: Base-Base interactions energy: -1175.737 where: short stacking energy: -471.009 Base-Backbone interact. energy: -2.539 local terms energy: -525.960279 where: bonds (distance) C4'-P energy: -101.721 bonds (distance) P-C4' energy: -97.738 flat angles C4'-P-C4' energy: -118.646 flat angles P-C4'-P energy: -68.079 tors. eta vs tors. theta energy: -139.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1571.289598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.289598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.289598 (E_RNA) where: Base-Base interactions energy: -1079.215 where: short stacking energy: -431.203 Base-Backbone interact. energy: -3.673 local terms energy: -488.401879 where: bonds (distance) C4'-P energy: -89.813 bonds (distance) P-C4' energy: -100.552 flat angles C4'-P-C4' energy: -107.714 flat angles P-C4'-P energy: -65.631 tors. eta vs tors. theta energy: -124.691 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: 9 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1488.716783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.716783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.716783 (E_RNA) where: Base-Base interactions energy: -1007.314 where: short stacking energy: -424.132 Base-Backbone interact. energy: -1.090 local terms energy: -480.312565 where: bonds (distance) C4'-P energy: -89.393 bonds (distance) P-C4' energy: -89.670 flat angles C4'-P-C4' energy: -109.397 flat angles P-C4'-P energy: -63.323 tors. eta vs tors. theta energy: -128.529 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: 1 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1391.755462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.755462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.755462 (E_RNA) where: Base-Base interactions energy: -925.564 where: short stacking energy: -391.483 Base-Backbone interact. energy: 1.897 local terms energy: -468.088268 where: bonds (distance) C4'-P energy: -90.284 bonds (distance) P-C4' energy: -98.175 flat angles C4'-P-C4' energy: -103.613 flat angles P-C4'-P energy: -66.261 tors. eta vs tors. theta energy: -109.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1344.778337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.778337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.778337 (E_RNA) where: Base-Base interactions energy: -894.125 where: short stacking energy: -383.603 Base-Backbone interact. energy: -1.898 local terms energy: -448.755450 where: bonds (distance) C4'-P energy: -83.339 bonds (distance) P-C4' energy: -94.111 flat angles C4'-P-C4' energy: -99.420 flat angles P-C4'-P energy: -64.179 tors. eta vs tors. theta energy: -107.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1240.719885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.719885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.719885 (E_RNA) where: Base-Base interactions energy: -820.716 where: short stacking energy: -361.872 Base-Backbone interact. energy: 0.897 local terms energy: -420.900919 where: bonds (distance) C4'-P energy: -72.449 bonds (distance) P-C4' energy: -97.124 flat angles C4'-P-C4' energy: -97.650 flat angles P-C4'-P energy: -59.672 tors. eta vs tors. theta energy: -94.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1222.686866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.686866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.686866 (E_RNA) where: Base-Base interactions energy: -800.471 where: short stacking energy: -329.281 Base-Backbone interact. energy: -0.566 local terms energy: -421.649489 where: bonds (distance) C4'-P energy: -87.282 bonds (distance) P-C4' energy: -85.733 flat angles C4'-P-C4' energy: -89.827 flat angles P-C4'-P energy: -69.084 tors. eta vs tors. theta energy: -89.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -945.826150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.826150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.826150 (E_RNA) where: Base-Base interactions energy: -586.297 where: short stacking energy: -266.981 Base-Backbone interact. energy: -1.239 local terms energy: -358.289825 where: bonds (distance) C4'-P energy: -85.681 bonds (distance) P-C4' energy: -81.776 flat angles C4'-P-C4' energy: -77.745 flat angles P-C4'-P energy: -53.514 tors. eta vs tors. theta energy: -59.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -825.263819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.263819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.263819 (E_RNA) where: Base-Base interactions energy: -491.071 where: short stacking energy: -213.360 Base-Backbone interact. energy: -3.581 local terms energy: -330.611752 where: bonds (distance) C4'-P energy: -84.929 bonds (distance) P-C4' energy: -81.454 flat angles C4'-P-C4' energy: -78.046 flat angles P-C4'-P energy: -52.454 tors. eta vs tors. theta energy: -33.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -445.654639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.654639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.654639 (E_RNA) where: Base-Base interactions energy: -208.164 where: short stacking energy: -157.970 Base-Backbone interact. energy: -1.241 local terms energy: -236.250180 where: bonds (distance) C4'-P energy: -65.158 bonds (distance) P-C4' energy: -68.336 flat angles C4'-P-C4' energy: -65.440 flat angles P-C4'-P energy: -48.373 tors. eta vs tors. theta energy: 11.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1710.647305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.647305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.647305 (E_RNA) where: Base-Base interactions energy: -1178.267 where: short stacking energy: -487.338 Base-Backbone interact. energy: -1.276 local terms energy: -531.104457 where: bonds (distance) C4'-P energy: -97.718 bonds (distance) P-C4' energy: -98.094 flat angles C4'-P-C4' energy: -107.122 flat angles P-C4'-P energy: -84.879 tors. eta vs tors. theta energy: -143.291 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: 2, replica: 2 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1601.519810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.519810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.519810 (E_RNA) where: Base-Base interactions energy: -1095.548 where: short stacking energy: -466.055 Base-Backbone interact. energy: -0.816 local terms energy: -505.155538 where: bonds (distance) C4'-P energy: -100.878 bonds (distance) P-C4' energy: -91.330 flat angles C4'-P-C4' energy: -97.313 flat angles P-C4'-P energy: -76.902 tors. eta vs tors. theta energy: -138.732 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: 9 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1554.786382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.786382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.786382 (E_RNA) where: Base-Base interactions energy: -1084.537 where: short stacking energy: -444.137 Base-Backbone interact. energy: 0.422 local terms energy: -470.672273 where: bonds (distance) C4'-P energy: -88.581 bonds (distance) P-C4' energy: -92.922 flat angles C4'-P-C4' energy: -101.549 flat angles P-C4'-P energy: -55.560 tors. eta vs tors. theta energy: -132.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1446.264292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.264292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.264292 (E_RNA) where: Base-Base interactions energy: -979.213 where: short stacking energy: -415.778 Base-Backbone interact. energy: -2.109 local terms energy: -464.942210 where: bonds (distance) C4'-P energy: -95.724 bonds (distance) P-C4' energy: -87.543 flat angles C4'-P-C4' energy: -111.454 flat angles P-C4'-P energy: -55.232 tors. eta vs tors. theta energy: -114.989 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: 7 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1311.710572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.710572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.710572 (E_RNA) where: Base-Base interactions energy: -871.448 where: short stacking energy: -365.342 Base-Backbone interact. energy: -1.426 local terms energy: -438.836506 where: bonds (distance) C4'-P energy: -97.422 bonds (distance) P-C4' energy: -87.458 flat angles C4'-P-C4' energy: -91.157 flat angles P-C4'-P energy: -52.974 tors. eta vs tors. theta energy: -109.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1253.455864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.455864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.455864 (E_RNA) where: Base-Base interactions energy: -889.462 where: short stacking energy: -379.581 Base-Backbone interact. energy: 1.965 local terms energy: -365.958739 where: bonds (distance) C4'-P energy: -55.766 bonds (distance) P-C4' energy: -84.743 flat angles C4'-P-C4' energy: -93.852 flat angles P-C4'-P energy: -40.104 tors. eta vs tors. theta energy: -91.493 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: 7, replica: 3 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1164.916350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.916350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.916350 (E_RNA) where: Base-Base interactions energy: -755.146 where: short stacking energy: -316.732 Base-Backbone interact. energy: -1.759 local terms energy: -408.011026 where: bonds (distance) C4'-P energy: -75.756 bonds (distance) P-C4' energy: -97.158 flat angles C4'-P-C4' energy: -93.260 flat angles P-C4'-P energy: -71.847 tors. eta vs tors. theta energy: -69.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -952.452159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.452159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.452159 (E_RNA) where: Base-Base interactions energy: -605.370 where: short stacking energy: -274.234 Base-Backbone interact. energy: -0.506 local terms energy: -346.575537 where: bonds (distance) C4'-P energy: -84.194 bonds (distance) P-C4' energy: -81.954 flat angles C4'-P-C4' energy: -82.215 flat angles P-C4'-P energy: -52.891 tors. eta vs tors. theta energy: -45.322 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: 43 Temperature: 1.300000 Total energy: -895.330514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.330514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.330514 (E_RNA) where: Base-Base interactions energy: -546.495 where: short stacking energy: -255.931 Base-Backbone interact. energy: 1.222 local terms energy: -350.057474 where: bonds (distance) C4'-P energy: -77.647 bonds (distance) P-C4' energy: -80.354 flat angles C4'-P-C4' energy: -82.741 flat angles P-C4'-P energy: -61.394 tors. eta vs tors. theta energy: -47.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -447.706101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.706101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.706101 (E_RNA) where: Base-Base interactions energy: -197.169 where: short stacking energy: -122.762 Base-Backbone interact. energy: 4.554 local terms energy: -255.090794 where: bonds (distance) C4'-P energy: -84.813 bonds (distance) P-C4' energy: -63.272 flat angles C4'-P-C4' energy: -66.418 flat angles P-C4'-P energy: -39.942 tors. eta vs tors. theta energy: -0.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1727.952304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.952304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.952304 (E_RNA) where: Base-Base interactions energy: -1208.593 where: short stacking energy: -470.313 Base-Backbone interact. energy: -2.384 local terms energy: -516.974935 where: bonds (distance) C4'-P energy: -93.939 bonds (distance) P-C4' energy: -97.018 flat angles C4'-P-C4' energy: -113.187 flat angles P-C4'-P energy: -72.972 tors. eta vs tors. theta energy: -139.858 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: 44 Temperature: 0.950000 Total energy: -1593.068567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.068567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.068567 (E_RNA) where: Base-Base interactions energy: -1096.137 where: short stacking energy: -472.092 Base-Backbone interact. energy: -2.324 local terms energy: -494.608123 where: bonds (distance) C4'-P energy: -95.221 bonds (distance) P-C4' energy: -90.557 flat angles C4'-P-C4' energy: -106.477 flat angles P-C4'-P energy: -61.663 tors. eta vs tors. theta energy: -140.690 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: 9 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1552.285288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.285288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.285288 (E_RNA) where: Base-Base interactions energy: -1056.684 where: short stacking energy: -428.855 Base-Backbone interact. energy: 2.182 local terms energy: -497.783390 where: bonds (distance) C4'-P energy: -106.368 bonds (distance) P-C4' energy: -91.524 flat angles C4'-P-C4' energy: -99.419 flat angles P-C4'-P energy: -67.969 tors. eta vs tors. theta energy: -132.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1469.549925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.549925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.549925 (E_RNA) where: Base-Base interactions energy: -1007.465 where: short stacking energy: -418.706 Base-Backbone interact. energy: -2.042 local terms energy: -460.042735 where: bonds (distance) C4'-P energy: -87.000 bonds (distance) P-C4' energy: -96.120 flat angles C4'-P-C4' energy: -102.284 flat angles P-C4'-P energy: -60.850 tors. eta vs tors. theta energy: -113.788 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: 8 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1353.742641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.742641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.742641 (E_RNA) where: Base-Base interactions energy: -894.018 where: short stacking energy: -379.813 Base-Backbone interact. energy: 1.773 local terms energy: -461.497580 where: bonds (distance) C4'-P energy: -88.165 bonds (distance) P-C4' energy: -96.285 flat angles C4'-P-C4' energy: -103.319 flat angles P-C4'-P energy: -68.654 tors. eta vs tors. theta energy: -105.074 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: 7 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1237.403054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.403054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.403054 (E_RNA) where: Base-Base interactions energy: -828.573 where: short stacking energy: -331.640 Base-Backbone interact. energy: 0.086 local terms energy: -408.916203 where: bonds (distance) C4'-P energy: -83.463 bonds (distance) P-C4' energy: -86.111 flat angles C4'-P-C4' energy: -104.419 flat angles P-C4'-P energy: -55.261 tors. eta vs tors. theta energy: -79.663 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: 7, replica: 3 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1064.072993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.072993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.072993 (E_RNA) where: Base-Base interactions energy: -703.257 where: short stacking energy: -312.443 Base-Backbone interact. energy: -2.026 local terms energy: -358.789890 where: bonds (distance) C4'-P energy: -77.293 bonds (distance) P-C4' energy: -68.172 flat angles C4'-P-C4' energy: -94.013 flat angles P-C4'-P energy: -50.512 tors. eta vs tors. theta energy: -68.800 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: 5 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -979.150490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.150490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.150490 (E_RNA) where: Base-Base interactions energy: -614.925 where: short stacking energy: -276.369 Base-Backbone interact. energy: -0.200 local terms energy: -364.025713 where: bonds (distance) C4'-P energy: -74.289 bonds (distance) P-C4' energy: -87.613 flat angles C4'-P-C4' energy: -90.807 flat angles P-C4'-P energy: -46.749 tors. eta vs tors. theta energy: -64.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -827.094557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.094557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.094557 (E_RNA) where: Base-Base interactions energy: -506.974 where: short stacking energy: -218.937 Base-Backbone interact. energy: 1.414 local terms energy: -321.534987 where: bonds (distance) C4'-P energy: -85.455 bonds (distance) P-C4' energy: -79.417 flat angles C4'-P-C4' energy: -86.814 flat angles P-C4'-P energy: -48.612 tors. eta vs tors. theta energy: -21.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -455.014728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.014728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.014728 (E_RNA) where: Base-Base interactions energy: -190.699 where: short stacking energy: -112.333 Base-Backbone interact. energy: -1.383 local terms energy: -262.932160 where: bonds (distance) C4'-P energy: -83.705 bonds (distance) P-C4' energy: -83.626 flat angles C4'-P-C4' energy: -80.972 flat angles P-C4'-P energy: -34.784 tors. eta vs tors. theta energy: 20.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1719.678365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.678365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.678365 (E_RNA) where: Base-Base interactions energy: -1191.177 where: short stacking energy: -487.790 Base-Backbone interact. energy: -2.544 local terms energy: -525.957220 where: bonds (distance) C4'-P energy: -91.021 bonds (distance) P-C4' energy: -100.075 flat angles C4'-P-C4' energy: -106.687 flat angles P-C4'-P energy: -81.938 tors. eta vs tors. theta energy: -146.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1599.644284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.644284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.644284 (E_RNA) where: Base-Base interactions energy: -1087.880 where: short stacking energy: -469.902 Base-Backbone interact. energy: -0.875 local terms energy: -510.890080 where: bonds (distance) C4'-P energy: -98.719 bonds (distance) P-C4' energy: -101.590 flat angles C4'-P-C4' energy: -104.745 flat angles P-C4'-P energy: -64.179 tors. eta vs tors. theta energy: -141.657 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: 9 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1538.316464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.316464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.316464 (E_RNA) where: Base-Base interactions energy: -1071.049 where: short stacking energy: -421.909 Base-Backbone interact. energy: -0.814 local terms energy: -466.454118 where: bonds (distance) C4'-P energy: -93.628 bonds (distance) P-C4' energy: -85.633 flat angles C4'-P-C4' energy: -102.676 flat angles P-C4'-P energy: -64.992 tors. eta vs tors. theta energy: -119.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1473.098024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.098024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.098024 (E_RNA) where: Base-Base interactions energy: -1027.339 where: short stacking energy: -426.936 Base-Backbone interact. energy: -1.051 local terms energy: -444.707822 where: bonds (distance) C4'-P energy: -83.754 bonds (distance) P-C4' energy: -95.225 flat angles C4'-P-C4' energy: -89.468 flat angles P-C4'-P energy: -68.836 tors. eta vs tors. theta energy: -107.425 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: 5, replica: 8 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1389.746348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.746348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.746348 (E_RNA) where: Base-Base interactions energy: -959.233 where: short stacking energy: -391.857 Base-Backbone interact. energy: -0.944 local terms energy: -429.569352 where: bonds (distance) C4'-P energy: -80.581 bonds (distance) P-C4' energy: -88.267 flat angles C4'-P-C4' energy: -91.864 flat angles P-C4'-P energy: -63.525 tors. eta vs tors. theta energy: -105.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1247.866110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.866110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.866110 (E_RNA) where: Base-Base interactions energy: -855.332 where: short stacking energy: -332.951 Base-Backbone interact. energy: 0.813 local terms energy: -393.346614 where: bonds (distance) C4'-P energy: -72.442 bonds (distance) P-C4' energy: -87.001 flat angles C4'-P-C4' energy: -94.604 flat angles P-C4'-P energy: -50.833 tors. eta vs tors. theta energy: -88.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1088.199826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.199826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.199826 (E_RNA) where: Base-Base interactions energy: -735.557 where: short stacking energy: -320.075 Base-Backbone interact. energy: -1.390 local terms energy: -351.252472 where: bonds (distance) C4'-P energy: -86.697 bonds (distance) P-C4' energy: -67.394 flat angles C4'-P-C4' energy: -79.229 flat angles P-C4'-P energy: -46.490 tors. eta vs tors. theta energy: -71.442 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: 8, replica: 5 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1083.241537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.241537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.241537 (E_RNA) where: Base-Base interactions energy: -697.744 where: short stacking energy: -301.870 Base-Backbone interact. energy: 2.380 local terms energy: -387.877817 where: bonds (distance) C4'-P energy: -83.749 bonds (distance) P-C4' energy: -85.655 flat angles C4'-P-C4' energy: -90.960 flat angles P-C4'-P energy: -39.518 tors. eta vs tors. theta energy: -87.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -828.122033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.122033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.122033 (E_RNA) where: Base-Base interactions energy: -494.071 where: short stacking energy: -205.614 Base-Backbone interact. energy: 5.350 local terms energy: -339.400618 where: bonds (distance) C4'-P energy: -73.131 bonds (distance) P-C4' energy: -95.290 flat angles C4'-P-C4' energy: -84.419 flat angles P-C4'-P energy: -47.625 tors. eta vs tors. theta energy: -38.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -436.148305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.148305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.148305 (E_RNA) where: Base-Base interactions energy: -174.610 where: short stacking energy: -100.441 Base-Backbone interact. energy: -1.543 local terms energy: -259.995181 where: bonds (distance) C4'-P energy: -72.363 bonds (distance) P-C4' energy: -75.897 flat angles C4'-P-C4' energy: -80.089 flat angles P-C4'-P energy: -51.270 tors. eta vs tors. theta energy: 19.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1736.209048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.209048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.209048 (E_RNA) where: Base-Base interactions energy: -1206.082 where: short stacking energy: -474.568 Base-Backbone interact. energy: -1.304 local terms energy: -528.823630 where: bonds (distance) C4'-P energy: -99.727 bonds (distance) P-C4' energy: -88.720 flat angles C4'-P-C4' energy: -119.650 flat angles P-C4'-P energy: -74.258 tors. eta vs tors. theta energy: -146.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1606.250950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.250950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.250950 (E_RNA) where: Base-Base interactions energy: -1091.010 where: short stacking energy: -472.415 Base-Backbone interact. energy: 0.551 local terms energy: -515.791757 where: bonds (distance) C4'-P energy: -101.595 bonds (distance) P-C4' energy: -97.660 flat angles C4'-P-C4' energy: -108.433 flat angles P-C4'-P energy: -65.670 tors. eta vs tors. theta energy: -142.434 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: 9 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1538.710209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.710209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.710209 (E_RNA) where: Base-Base interactions energy: -1071.987 where: short stacking energy: -414.329 Base-Backbone interact. energy: -1.774 local terms energy: -464.948687 where: bonds (distance) C4'-P energy: -94.006 bonds (distance) P-C4' energy: -85.852 flat angles C4'-P-C4' energy: -102.747 flat angles P-C4'-P energy: -71.741 tors. eta vs tors. theta energy: -110.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1460.754817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.754817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.754817 (E_RNA) where: Base-Base interactions energy: -1017.837 where: short stacking energy: -418.529 Base-Backbone interact. energy: -2.931 local terms energy: -439.986616 where: bonds (distance) C4'-P energy: -82.642 bonds (distance) P-C4' energy: -82.900 flat angles C4'-P-C4' energy: -101.494 flat angles P-C4'-P energy: -66.068 tors. eta vs tors. theta energy: -106.882 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: 8 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1456.521191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.521191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.521191 (E_RNA) where: Base-Base interactions energy: -994.580 where: short stacking energy: -422.307 Base-Backbone interact. energy: -1.579 local terms energy: -460.361915 where: bonds (distance) C4'-P energy: -76.388 bonds (distance) P-C4' energy: -97.293 flat angles C4'-P-C4' energy: -90.835 flat angles P-C4'-P energy: -65.291 tors. eta vs tors. theta energy: -130.555 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: 6, replica: 7 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1269.585913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.585913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.585913 (E_RNA) where: Base-Base interactions energy: -840.759 where: short stacking energy: -337.155 Base-Backbone interact. energy: -1.979 local terms energy: -426.848427 where: bonds (distance) C4'-P energy: -91.121 bonds (distance) P-C4' energy: -97.942 flat angles C4'-P-C4' energy: -88.950 flat angles P-C4'-P energy: -68.118 tors. eta vs tors. theta energy: -80.718 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: 5 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1152.523810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.523810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.523810 (E_RNA) where: Base-Base interactions energy: -759.346 where: short stacking energy: -316.495 Base-Backbone interact. energy: -1.931 local terms energy: -391.246730 where: bonds (distance) C4'-P energy: -72.899 bonds (distance) P-C4' energy: -84.764 flat angles C4'-P-C4' energy: -94.835 flat angles P-C4'-P energy: -49.467 tors. eta vs tors. theta energy: -89.282 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: 3 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -1069.776959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.776959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.776959 (E_RNA) where: Base-Base interactions energy: -726.505 where: short stacking energy: -303.331 Base-Backbone interact. energy: -2.249 local terms energy: -341.022784 where: bonds (distance) C4'-P energy: -89.043 bonds (distance) P-C4' energy: -83.528 flat angles C4'-P-C4' energy: -64.762 flat angles P-C4'-P energy: -34.963 tors. eta vs tors. theta energy: -68.727 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: 6 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -878.714901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.714901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.714901 (E_RNA) where: Base-Base interactions energy: -567.402 where: short stacking energy: -245.415 Base-Backbone interact. energy: -1.366 local terms energy: -309.946762 where: bonds (distance) C4'-P energy: -81.716 bonds (distance) P-C4' energy: -72.838 flat angles C4'-P-C4' energy: -67.381 flat angles P-C4'-P energy: -43.595 tors. eta vs tors. theta energy: -44.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -465.385093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.385093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.385093 (E_RNA) where: Base-Base interactions energy: -211.422 where: short stacking energy: -124.343 Base-Backbone interact. energy: 3.882 local terms energy: -257.844645 where: bonds (distance) C4'-P energy: -75.472 bonds (distance) P-C4' energy: -82.697 flat angles C4'-P-C4' energy: -68.955 flat angles P-C4'-P energy: -38.480 tors. eta vs tors. theta energy: 7.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1741.633430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.633430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.633430 (E_RNA) where: Base-Base interactions energy: -1203.879 where: short stacking energy: -478.913 Base-Backbone interact. energy: -5.135 local terms energy: -532.619332 where: bonds (distance) C4'-P energy: -99.226 bonds (distance) P-C4' energy: -105.022 flat angles C4'-P-C4' energy: -109.852 flat angles P-C4'-P energy: -76.538 tors. eta vs tors. theta energy: -141.982 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: 2 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1584.954018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.954018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.954018 (E_RNA) where: Base-Base interactions energy: -1088.393 where: short stacking energy: -469.520 Base-Backbone interact. energy: -2.586 local terms energy: -493.975137 where: bonds (distance) C4'-P energy: -100.603 bonds (distance) P-C4' energy: -88.626 flat angles C4'-P-C4' energy: -101.631 flat angles P-C4'-P energy: -70.419 tors. eta vs tors. theta energy: -132.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1562.682122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.682122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.682122 (E_RNA) where: Base-Base interactions energy: -1104.393 where: short stacking energy: -425.806 Base-Backbone interact. energy: -2.854 local terms energy: -455.435300 where: bonds (distance) C4'-P energy: -81.358 bonds (distance) P-C4' energy: -98.988 flat angles C4'-P-C4' energy: -90.125 flat angles P-C4'-P energy: -71.398 tors. eta vs tors. theta energy: -113.567 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: 1 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1483.214808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.214808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.214808 (E_RNA) where: Base-Base interactions energy: -1008.734 where: short stacking energy: -417.079 Base-Backbone interact. energy: 0.430 local terms energy: -474.910644 where: bonds (distance) C4'-P energy: -95.681 bonds (distance) P-C4' energy: -90.881 flat angles C4'-P-C4' energy: -104.904 flat angles P-C4'-P energy: -60.041 tors. eta vs tors. theta energy: -123.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1471.903081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.903081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.903081 (E_RNA) where: Base-Base interactions energy: -1009.643 where: short stacking energy: -422.911 Base-Backbone interact. energy: -1.597 local terms energy: -460.662480 where: bonds (distance) C4'-P energy: -90.598 bonds (distance) P-C4' energy: -82.054 flat angles C4'-P-C4' energy: -102.135 flat angles P-C4'-P energy: -64.614 tors. eta vs tors. theta energy: -121.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1219.479515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.479515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.479515 (E_RNA) where: Base-Base interactions energy: -826.082 where: short stacking energy: -377.542 Base-Backbone interact. energy: 4.328 local terms energy: -397.726158 where: bonds (distance) C4'-P energy: -76.247 bonds (distance) P-C4' energy: -87.977 flat angles C4'-P-C4' energy: -82.386 flat angles P-C4'-P energy: -53.064 tors. eta vs tors. theta energy: -98.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1201.791606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.791606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.791606 (E_RNA) where: Base-Base interactions energy: -782.942 where: short stacking energy: -335.927 Base-Backbone interact. energy: -1.312 local terms energy: -417.537056 where: bonds (distance) C4'-P energy: -80.987 bonds (distance) P-C4' energy: -81.622 flat angles C4'-P-C4' energy: -93.946 flat angles P-C4'-P energy: -69.934 tors. eta vs tors. theta energy: -91.048 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: 3 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -1107.253688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.253688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.253688 (E_RNA) where: Base-Base interactions energy: -748.360 where: short stacking energy: -309.126 Base-Backbone interact. energy: 2.283 local terms energy: -361.176683 where: bonds (distance) C4'-P energy: -82.278 bonds (distance) P-C4' energy: -64.136 flat angles C4'-P-C4' energy: -78.861 flat angles P-C4'-P energy: -66.567 tors. eta vs tors. theta energy: -69.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -913.897436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.897436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.897436 (E_RNA) where: Base-Base interactions energy: -598.728 where: short stacking energy: -258.705 Base-Backbone interact. energy: -2.649 local terms energy: -312.520080 where: bonds (distance) C4'-P energy: -67.720 bonds (distance) P-C4' energy: -85.618 flat angles C4'-P-C4' energy: -68.357 flat angles P-C4'-P energy: -54.138 tors. eta vs tors. theta energy: -36.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -447.488457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.488457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.488457 (E_RNA) where: Base-Base interactions energy: -189.290 where: short stacking energy: -109.900 Base-Backbone interact. energy: -1.585 local terms energy: -256.613381 where: bonds (distance) C4'-P energy: -81.564 bonds (distance) P-C4' energy: -76.308 flat angles C4'-P-C4' energy: -61.040 flat angles P-C4'-P energy: -45.927 tors. eta vs tors. theta energy: 8.225 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: 4 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1730.764623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.764623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.764623 (E_RNA) where: Base-Base interactions energy: -1210.869 where: short stacking energy: -484.036 Base-Backbone interact. energy: -3.589 local terms energy: -516.306958 where: bonds (distance) C4'-P energy: -99.113 bonds (distance) P-C4' energy: -94.287 flat angles C4'-P-C4' energy: -114.664 flat angles P-C4'-P energy: -66.824 tors. eta vs tors. theta energy: -141.419 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: 2 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1593.560460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.560460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.560460 (E_RNA) where: Base-Base interactions energy: -1093.457 where: short stacking energy: -474.047 Base-Backbone interact. energy: -1.740 local terms energy: -498.363511 where: bonds (distance) C4'-P energy: -92.105 bonds (distance) P-C4' energy: -90.562 flat angles C4'-P-C4' energy: -93.045 flat angles P-C4'-P energy: -72.823 tors. eta vs tors. theta energy: -149.828 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: 9 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1574.153181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.153181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.153181 (E_RNA) where: Base-Base interactions energy: -1098.873 where: short stacking energy: -448.816 Base-Backbone interact. energy: -0.249 local terms energy: -475.030855 where: bonds (distance) C4'-P energy: -89.863 bonds (distance) P-C4' energy: -93.263 flat angles C4'-P-C4' energy: -98.067 flat angles P-C4'-P energy: -67.454 tors. eta vs tors. theta energy: -126.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1473.639594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.639594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.639594 (E_RNA) where: Base-Base interactions energy: -998.310 where: short stacking energy: -399.153 Base-Backbone interact. energy: 1.962 local terms energy: -477.291320 where: bonds (distance) C4'-P energy: -91.261 bonds (distance) P-C4' energy: -94.151 flat angles C4'-P-C4' energy: -102.591 flat angles P-C4'-P energy: -70.407 tors. eta vs tors. theta energy: -118.882 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: 8 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1463.781624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.781624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.781624 (E_RNA) where: Base-Base interactions energy: -1024.354 where: short stacking energy: -427.209 Base-Backbone interact. energy: -0.712 local terms energy: -438.715374 where: bonds (distance) C4'-P energy: -82.418 bonds (distance) P-C4' energy: -70.767 flat angles C4'-P-C4' energy: -96.779 flat angles P-C4'-P energy: -74.824 tors. eta vs tors. theta energy: -113.928 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: 7 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1234.503864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.503864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.503864 (E_RNA) where: Base-Base interactions energy: -833.931 where: short stacking energy: -360.926 Base-Backbone interact. energy: -1.651 local terms energy: -398.921530 where: bonds (distance) C4'-P energy: -69.479 bonds (distance) P-C4' energy: -84.943 flat angles C4'-P-C4' energy: -101.977 flat angles P-C4'-P energy: -48.757 tors. eta vs tors. theta energy: -93.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1164.384862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.384862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.384862 (E_RNA) where: Base-Base interactions energy: -764.408 where: short stacking energy: -339.349 Base-Backbone interact. energy: -0.573 local terms energy: -399.404005 where: bonds (distance) C4'-P energy: -77.016 bonds (distance) P-C4' energy: -75.336 flat angles C4'-P-C4' energy: -95.718 flat angles P-C4'-P energy: -59.281 tors. eta vs tors. theta energy: -92.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1102.499206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.499206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.499206 (E_RNA) where: Base-Base interactions energy: -718.972 where: short stacking energy: -312.738 Base-Backbone interact. energy: -2.147 local terms energy: -381.380990 where: bonds (distance) C4'-P energy: -83.117 bonds (distance) P-C4' energy: -68.665 flat angles C4'-P-C4' energy: -87.581 flat angles P-C4'-P energy: -55.451 tors. eta vs tors. theta energy: -86.567 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: 6 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -935.317141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.317141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.317141 (E_RNA) where: Base-Base interactions energy: -597.141 where: short stacking energy: -252.082 Base-Backbone interact. energy: 3.358 local terms energy: -341.534045 where: bonds (distance) C4'-P energy: -70.349 bonds (distance) P-C4' energy: -87.625 flat angles C4'-P-C4' energy: -90.431 flat angles P-C4'-P energy: -41.132 tors. eta vs tors. theta energy: -51.997 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: 10 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -429.802533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.802533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.802533 (E_RNA) where: Base-Base interactions energy: -153.811 where: short stacking energy: -108.857 Base-Backbone interact. energy: 0.024 local terms energy: -276.014974 where: bonds (distance) C4'-P energy: -82.303 bonds (distance) P-C4' energy: -82.302 flat angles C4'-P-C4' energy: -94.913 flat angles P-C4'-P energy: -26.196 tors. eta vs tors. theta energy: 9.699 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: 4 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1719.887324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.887324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.887324 (E_RNA) where: Base-Base interactions energy: -1210.210 where: short stacking energy: -452.288 Base-Backbone interact. energy: -3.058 local terms energy: -506.619127 where: bonds (distance) C4'-P energy: -98.160 bonds (distance) P-C4' energy: -86.383 flat angles C4'-P-C4' energy: -108.418 flat angles P-C4'-P energy: -86.012 tors. eta vs tors. theta energy: -127.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1606.328247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.328247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.328247 (E_RNA) where: Base-Base interactions energy: -1105.137 where: short stacking energy: -475.952 Base-Backbone interact. energy: -2.917 local terms energy: -498.274494 where: bonds (distance) C4'-P energy: -91.105 bonds (distance) P-C4' energy: -96.744 flat angles C4'-P-C4' energy: -110.174 flat angles P-C4'-P energy: -60.320 tors. eta vs tors. theta energy: -139.931 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: 9 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1607.159636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.159636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.159636 (E_RNA) where: Base-Base interactions energy: -1136.871 where: short stacking energy: -462.209 Base-Backbone interact. energy: -2.626 local terms energy: -467.662764 where: bonds (distance) C4'-P energy: -84.424 bonds (distance) P-C4' energy: -95.942 flat angles C4'-P-C4' energy: -94.281 flat angles P-C4'-P energy: -63.856 tors. eta vs tors. theta energy: -129.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1480.226637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.226637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.226637 (E_RNA) where: Base-Base interactions energy: -1014.517 where: short stacking energy: -440.778 Base-Backbone interact. energy: -0.352 local terms energy: -465.357840 where: bonds (distance) C4'-P energy: -74.040 bonds (distance) P-C4' energy: -87.390 flat angles C4'-P-C4' energy: -116.921 flat angles P-C4'-P energy: -63.383 tors. eta vs tors. theta energy: -123.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1454.787442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.787442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.787442 (E_RNA) where: Base-Base interactions energy: -1011.061 where: short stacking energy: -415.779 Base-Backbone interact. energy: -1.852 local terms energy: -441.873964 where: bonds (distance) C4'-P energy: -89.152 bonds (distance) P-C4' energy: -74.392 flat angles C4'-P-C4' energy: -92.822 flat angles P-C4'-P energy: -69.288 tors. eta vs tors. theta energy: -116.220 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: 7 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1220.256152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.256152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.256152 (E_RNA) where: Base-Base interactions energy: -808.166 where: short stacking energy: -340.361 Base-Backbone interact. energy: -0.592 local terms energy: -411.498046 where: bonds (distance) C4'-P energy: -84.904 bonds (distance) P-C4' energy: -84.171 flat angles C4'-P-C4' energy: -101.532 flat angles P-C4'-P energy: -54.968 tors. eta vs tors. theta energy: -85.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1142.725346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.725346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.725346 (E_RNA) where: Base-Base interactions energy: -764.065 where: short stacking energy: -349.820 Base-Backbone interact. energy: 1.084 local terms energy: -379.743766 where: bonds (distance) C4'-P energy: -70.538 bonds (distance) P-C4' energy: -88.540 flat angles C4'-P-C4' energy: -80.481 flat angles P-C4'-P energy: -69.246 tors. eta vs tors. theta energy: -70.937 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: 3 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -1119.421348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.421348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.421348 (E_RNA) where: Base-Base interactions energy: -721.499 where: short stacking energy: -302.408 Base-Backbone interact. energy: -0.970 local terms energy: -396.952583 where: bonds (distance) C4'-P energy: -80.129 bonds (distance) P-C4' energy: -88.223 flat angles C4'-P-C4' energy: -83.852 flat angles P-C4'-P energy: -70.255 tors. eta vs tors. theta energy: -74.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -984.706000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.706000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.706000 (E_RNA) where: Base-Base interactions energy: -623.963 where: short stacking energy: -277.180 Base-Backbone interact. energy: 4.886 local terms energy: -365.629163 where: bonds (distance) C4'-P energy: -80.277 bonds (distance) P-C4' energy: -90.372 flat angles C4'-P-C4' energy: -69.936 flat angles P-C4'-P energy: -64.711 tors. eta vs tors. theta energy: -60.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -396.733284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.733284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.733284 (E_RNA) where: Base-Base interactions energy: -152.326 where: short stacking energy: -90.227 Base-Backbone interact. energy: 1.382 local terms energy: -245.789476 where: bonds (distance) C4'-P energy: -78.065 bonds (distance) P-C4' energy: -87.331 flat angles C4'-P-C4' energy: -56.610 flat angles P-C4'-P energy: -51.891 tors. eta vs tors. theta energy: 28.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1722.327440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.327440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.327440 (E_RNA) where: Base-Base interactions energy: -1202.273 where: short stacking energy: -459.464 Base-Backbone interact. energy: -1.219 local terms energy: -518.835235 where: bonds (distance) C4'-P energy: -95.892 bonds (distance) P-C4' energy: -97.816 flat angles C4'-P-C4' energy: -109.543 flat angles P-C4'-P energy: -75.270 tors. eta vs tors. theta energy: -140.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1598.756032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.756032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.756032 (E_RNA) where: Base-Base interactions energy: -1097.172 where: short stacking energy: -454.166 Base-Backbone interact. energy: -3.369 local terms energy: -498.215849 where: bonds (distance) C4'-P energy: -88.169 bonds (distance) P-C4' energy: -94.406 flat angles C4'-P-C4' energy: -112.067 flat angles P-C4'-P energy: -74.988 tors. eta vs tors. theta energy: -128.586 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: 9 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1596.252157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.252157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.252157 (E_RNA) where: Base-Base interactions energy: -1095.210 where: short stacking energy: -458.323 Base-Backbone interact. energy: -1.040 local terms energy: -500.002384 where: bonds (distance) C4'-P energy: -97.500 bonds (distance) P-C4' energy: -92.337 flat angles C4'-P-C4' energy: -104.602 flat angles P-C4'-P energy: -71.677 tors. eta vs tors. theta energy: -133.887 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: 1 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1446.062915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.062915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.062915 (E_RNA) where: Base-Base interactions energy: -997.661 where: short stacking energy: -430.415 Base-Backbone interact. energy: 0.206 local terms energy: -448.608255 where: bonds (distance) C4'-P energy: -81.915 bonds (distance) P-C4' energy: -83.639 flat angles C4'-P-C4' energy: -99.963 flat angles P-C4'-P energy: -63.404 tors. eta vs tors. theta energy: -119.687 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: 8 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1472.723205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.723205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.723205 (E_RNA) where: Base-Base interactions energy: -1028.070 where: short stacking energy: -428.613 Base-Backbone interact. energy: -2.018 local terms energy: -442.635169 where: bonds (distance) C4'-P energy: -74.943 bonds (distance) P-C4' energy: -99.528 flat angles C4'-P-C4' energy: -86.221 flat angles P-C4'-P energy: -64.230 tors. eta vs tors. theta energy: -117.714 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: 50 Temperature: 1.150000 Total energy: -1218.135009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.135009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.135009 (E_RNA) where: Base-Base interactions energy: -816.621 where: short stacking energy: -320.838 Base-Backbone interact. energy: -2.624 local terms energy: -398.890949 where: bonds (distance) C4'-P energy: -87.227 bonds (distance) P-C4' energy: -83.384 flat angles C4'-P-C4' energy: -91.504 flat angles P-C4'-P energy: -57.831 tors. eta vs tors. theta energy: -78.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1167.531766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.531766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.531766 (E_RNA) where: Base-Base interactions energy: -780.788 where: short stacking energy: -324.808 Base-Backbone interact. energy: -2.146 local terms energy: -384.597645 where: bonds (distance) C4'-P energy: -73.976 bonds (distance) P-C4' energy: -72.407 flat angles C4'-P-C4' energy: -90.963 flat angles P-C4'-P energy: -57.263 tors. eta vs tors. theta energy: -89.989 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: 5 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1113.070802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.070802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.070802 (E_RNA) where: Base-Base interactions energy: -741.087 where: short stacking energy: -312.355 Base-Backbone interact. energy: 2.646 local terms energy: -374.630249 where: bonds (distance) C4'-P energy: -80.458 bonds (distance) P-C4' energy: -73.112 flat angles C4'-P-C4' energy: -85.281 flat angles P-C4'-P energy: -53.274 tors. eta vs tors. theta energy: -82.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -918.582545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.582545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.582545 (E_RNA) where: Base-Base interactions energy: -595.824 where: short stacking energy: -291.750 Base-Backbone interact. energy: -0.445 local terms energy: -322.313941 where: bonds (distance) C4'-P energy: -76.246 bonds (distance) P-C4' energy: -82.732 flat angles C4'-P-C4' energy: -77.917 flat angles P-C4'-P energy: -36.595 tors. eta vs tors. theta energy: -48.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -386.640086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.640086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.640086 (E_RNA) where: Base-Base interactions energy: -137.807 where: short stacking energy: -92.857 Base-Backbone interact. energy: -1.539 local terms energy: -247.295018 where: bonds (distance) C4'-P energy: -69.881 bonds (distance) P-C4' energy: -81.925 flat angles C4'-P-C4' energy: -67.008 flat angles P-C4'-P energy: -31.682 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: 1, replica: 4 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1709.054373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.054373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.054373 (E_RNA) where: Base-Base interactions energy: -1209.997 where: short stacking energy: -486.353 Base-Backbone interact. energy: -2.962 local terms energy: -496.095994 where: bonds (distance) C4'-P energy: -89.193 bonds (distance) P-C4' energy: -94.310 flat angles C4'-P-C4' energy: -101.781 flat angles P-C4'-P energy: -72.667 tors. eta vs tors. theta energy: -138.145 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: 9 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1599.141969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.141969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.141969 (E_RNA) where: Base-Base interactions energy: -1088.765 where: short stacking energy: -446.696 Base-Backbone interact. energy: -2.028 local terms energy: -508.348418 where: bonds (distance) C4'-P energy: -92.613 bonds (distance) P-C4' energy: -101.341 flat angles C4'-P-C4' energy: -106.347 flat angles P-C4'-P energy: -75.375 tors. eta vs tors. theta energy: -132.673 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: 2 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1541.240206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.240206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.240206 (E_RNA) where: Base-Base interactions energy: -1079.451 where: short stacking energy: -420.261 Base-Backbone interact. energy: -0.503 local terms energy: -461.286653 where: bonds (distance) C4'-P energy: -83.298 bonds (distance) P-C4' energy: -83.142 flat angles C4'-P-C4' energy: -103.325 flat angles P-C4'-P energy: -70.839 tors. eta vs tors. theta energy: -120.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1499.343931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.343931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.343931 (E_RNA) where: Base-Base interactions energy: -1025.829 where: short stacking energy: -410.701 Base-Backbone interact. energy: -2.637 local terms energy: -470.877689 where: bonds (distance) C4'-P energy: -73.119 bonds (distance) P-C4' energy: -103.281 flat angles C4'-P-C4' energy: -106.129 flat angles P-C4'-P energy: -66.191 tors. eta vs tors. theta energy: -122.159 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: 1 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1426.198497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.198497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.198497 (E_RNA) where: Base-Base interactions energy: -971.923 where: short stacking energy: -409.557 Base-Backbone interact. energy: -1.925 local terms energy: -452.350560 where: bonds (distance) C4'-P energy: -94.501 bonds (distance) P-C4' energy: -80.787 flat angles C4'-P-C4' energy: -92.803 flat angles P-C4'-P energy: -74.308 tors. eta vs tors. theta energy: -109.952 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: 6, replica: 7 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1261.435060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.435060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.435060 (E_RNA) where: Base-Base interactions energy: -859.333 where: short stacking energy: -335.677 Base-Backbone interact. energy: -2.106 local terms energy: -399.996128 where: bonds (distance) C4'-P energy: -77.350 bonds (distance) P-C4' energy: -82.451 flat angles C4'-P-C4' energy: -93.636 flat angles P-C4'-P energy: -58.928 tors. eta vs tors. theta energy: -87.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1177.887174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.887174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.887174 (E_RNA) where: Base-Base interactions energy: -768.625 where: short stacking energy: -334.896 Base-Backbone interact. energy: -1.119 local terms energy: -408.142975 where: bonds (distance) C4'-P energy: -81.925 bonds (distance) P-C4' energy: -89.868 flat angles C4'-P-C4' energy: -91.682 flat angles P-C4'-P energy: -49.638 tors. eta vs tors. theta energy: -95.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1073.965650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.965650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.965650 (E_RNA) where: Base-Base interactions energy: -690.028 where: short stacking energy: -295.344 Base-Backbone interact. energy: 1.166 local terms energy: -385.103194 where: bonds (distance) C4'-P energy: -85.532 bonds (distance) P-C4' energy: -78.632 flat angles C4'-P-C4' energy: -86.316 flat angles P-C4'-P energy: -51.123 tors. eta vs tors. theta energy: -83.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -990.034566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.034566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.034566 (E_RNA) where: Base-Base interactions energy: -637.500 where: short stacking energy: -287.201 Base-Backbone interact. energy: 0.171 local terms energy: -352.705780 where: bonds (distance) C4'-P energy: -63.503 bonds (distance) P-C4' energy: -98.154 flat angles C4'-P-C4' energy: -74.705 flat angles P-C4'-P energy: -54.166 tors. eta vs tors. theta energy: -62.178 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: 10 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -389.870919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.870919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.870919 (E_RNA) where: Base-Base interactions energy: -146.868 where: short stacking energy: -112.982 Base-Backbone interact. energy: 0.292 local terms energy: -243.294792 where: bonds (distance) C4'-P energy: -77.887 bonds (distance) P-C4' energy: -77.839 flat angles C4'-P-C4' energy: -73.741 flat angles P-C4'-P energy: -20.151 tors. eta vs tors. theta energy: 6.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1725.607379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.607379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.607379 (E_RNA) where: Base-Base interactions energy: -1208.986 where: short stacking energy: -472.464 Base-Backbone interact. energy: -1.100 local terms energy: -515.521269 where: bonds (distance) C4'-P energy: -89.726 bonds (distance) P-C4' energy: -96.420 flat angles C4'-P-C4' energy: -105.380 flat angles P-C4'-P energy: -75.824 tors. eta vs tors. theta energy: -148.172 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: 9 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1550.405229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.405229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.405229 (E_RNA) where: Base-Base interactions energy: -1072.411 where: short stacking energy: -477.042 Base-Backbone interact. energy: -2.038 local terms energy: -475.955646 where: bonds (distance) C4'-P energy: -89.895 bonds (distance) P-C4' energy: -87.274 flat angles C4'-P-C4' energy: -107.293 flat angles P-C4'-P energy: -62.071 tors. eta vs tors. theta energy: -129.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1569.000958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.000958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.000958 (E_RNA) where: Base-Base interactions energy: -1072.286 where: short stacking energy: -447.523 Base-Backbone interact. energy: -0.600 local terms energy: -496.115362 where: bonds (distance) C4'-P energy: -103.706 bonds (distance) P-C4' energy: -94.859 flat angles C4'-P-C4' energy: -103.385 flat angles P-C4'-P energy: -67.673 tors. eta vs tors. theta energy: -126.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1467.240989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.240989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.240989 (E_RNA) where: Base-Base interactions energy: -1008.009 where: short stacking energy: -417.834 Base-Backbone interact. energy: -3.646 local terms energy: -455.585997 where: bonds (distance) C4'-P energy: -75.004 bonds (distance) P-C4' energy: -89.012 flat angles C4'-P-C4' energy: -100.320 flat angles P-C4'-P energy: -74.019 tors. eta vs tors. theta energy: -117.230 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: 52 Temperature: 1.100000 Total energy: -1415.912344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.912344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.912344 (E_RNA) where: Base-Base interactions energy: -990.234 where: short stacking energy: -393.442 Base-Backbone interact. energy: -0.421 local terms energy: -425.257527 where: bonds (distance) C4'-P energy: -74.633 bonds (distance) P-C4' energy: -71.395 flat angles C4'-P-C4' energy: -107.508 flat angles P-C4'-P energy: -58.644 tors. eta vs tors. theta energy: -113.077 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: 7 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1239.860084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.860084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.860084 (E_RNA) where: Base-Base interactions energy: -826.430 where: short stacking energy: -345.077 Base-Backbone interact. energy: 3.089 local terms energy: -416.519316 where: bonds (distance) C4'-P energy: -84.258 bonds (distance) P-C4' energy: -92.314 flat angles C4'-P-C4' energy: -94.683 flat angles P-C4'-P energy: -53.111 tors. eta vs tors. theta energy: -92.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1239.123916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.123916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.123916 (E_RNA) where: Base-Base interactions energy: -836.481 where: short stacking energy: -361.208 Base-Backbone interact. energy: -1.983 local terms energy: -400.660412 where: bonds (distance) C4'-P energy: -77.362 bonds (distance) P-C4' energy: -91.259 flat angles C4'-P-C4' energy: -84.093 flat angles P-C4'-P energy: -48.139 tors. eta vs tors. theta energy: -99.807 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: 52 Temperature: 1.250000 Total energy: -1069.932587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.932587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.932587 (E_RNA) where: Base-Base interactions energy: -700.069 where: short stacking energy: -314.003 Base-Backbone interact. energy: 4.526 local terms energy: -374.390248 where: bonds (distance) C4'-P energy: -80.007 bonds (distance) P-C4' energy: -84.739 flat angles C4'-P-C4' energy: -80.553 flat angles P-C4'-P energy: -58.391 tors. eta vs tors. theta energy: -70.701 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: 6 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -985.951785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.951785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.951785 (E_RNA) where: Base-Base interactions energy: -616.803 where: short stacking energy: -266.311 Base-Backbone interact. energy: 0.677 local terms energy: -369.825258 where: bonds (distance) C4'-P energy: -87.275 bonds (distance) P-C4' energy: -90.650 flat angles C4'-P-C4' energy: -79.696 flat angles P-C4'-P energy: -60.266 tors. eta vs tors. theta energy: -51.938 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: 10 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -364.177314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.177314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.177314 (E_RNA) where: Base-Base interactions energy: -119.716 where: short stacking energy: -84.859 Base-Backbone interact. energy: 2.660 local terms energy: -247.121909 where: bonds (distance) C4'-P energy: -70.054 bonds (distance) P-C4' energy: -93.827 flat angles C4'-P-C4' energy: -65.614 flat angles P-C4'-P energy: -30.679 tors. eta vs tors. theta energy: 13.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1710.454383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.454383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.454383 (E_RNA) where: Base-Base interactions energy: -1214.934 where: short stacking energy: -471.883 Base-Backbone interact. energy: 0.084 local terms energy: -495.603504 where: bonds (distance) C4'-P energy: -92.832 bonds (distance) P-C4' energy: -86.849 flat angles C4'-P-C4' energy: -108.507 flat angles P-C4'-P energy: -74.705 tors. eta vs tors. theta energy: -132.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1638.078193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.078193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.078193 (E_RNA) where: Base-Base interactions energy: -1124.428 where: short stacking energy: -457.884 Base-Backbone interact. energy: -2.956 local terms energy: -510.693978 where: bonds (distance) C4'-P energy: -90.969 bonds (distance) P-C4' energy: -86.258 flat angles C4'-P-C4' energy: -111.209 flat angles P-C4'-P energy: -81.114 tors. eta vs tors. theta energy: -141.144 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: 9 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1549.295383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.295383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.295383 (E_RNA) where: Base-Base interactions energy: -1048.245 where: short stacking energy: -447.075 Base-Backbone interact. energy: -1.844 local terms energy: -499.206582 where: bonds (distance) C4'-P energy: -80.991 bonds (distance) P-C4' energy: -97.918 flat angles C4'-P-C4' energy: -103.652 flat angles P-C4'-P energy: -85.097 tors. eta vs tors. theta energy: -131.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1508.131344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.131344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.131344 (E_RNA) where: Base-Base interactions energy: -1040.209 where: short stacking energy: -432.221 Base-Backbone interact. energy: -3.869 local terms energy: -464.053180 where: bonds (distance) C4'-P energy: -80.733 bonds (distance) P-C4' energy: -93.226 flat angles C4'-P-C4' energy: -100.422 flat angles P-C4'-P energy: -72.796 tors. eta vs tors. theta energy: -116.876 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: 5, replica: 1 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1401.474836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.474836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.474836 (E_RNA) where: Base-Base interactions energy: -986.291 where: short stacking energy: -408.755 Base-Backbone interact. energy: -0.067 local terms energy: -415.117069 where: bonds (distance) C4'-P energy: -80.902 bonds (distance) P-C4' energy: -76.303 flat angles C4'-P-C4' energy: -84.794 flat angles P-C4'-P energy: -58.875 tors. eta vs tors. theta energy: -114.243 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: 6, replica: 7 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1292.168365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.168365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.168365 (E_RNA) where: Base-Base interactions energy: -856.209 where: short stacking energy: -376.228 Base-Backbone interact. energy: -2.880 local terms energy: -433.079421 where: bonds (distance) C4'-P energy: -86.198 bonds (distance) P-C4' energy: -79.090 flat angles C4'-P-C4' energy: -103.917 flat angles P-C4'-P energy: -66.115 tors. eta vs tors. theta energy: -97.760 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: 3 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1217.871444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.871444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.871444 (E_RNA) where: Base-Base interactions energy: -821.893 where: short stacking energy: -361.248 Base-Backbone interact. energy: 2.588 local terms energy: -398.566837 where: bonds (distance) C4'-P energy: -75.633 bonds (distance) P-C4' energy: -79.051 flat angles C4'-P-C4' energy: -85.246 flat angles P-C4'-P energy: -54.973 tors. eta vs tors. theta energy: -103.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1087.613821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.613821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.613821 (E_RNA) where: Base-Base interactions energy: -705.867 where: short stacking energy: -321.236 Base-Backbone interact. energy: 0.115 local terms energy: -381.862082 where: bonds (distance) C4'-P energy: -81.183 bonds (distance) P-C4' energy: -85.467 flat angles C4'-P-C4' energy: -86.874 flat angles P-C4'-P energy: -51.511 tors. eta vs tors. theta energy: -76.827 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: 53 Temperature: 1.300000 Total energy: -969.483375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.483375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.483375 (E_RNA) where: Base-Base interactions energy: -634.207 where: short stacking energy: -285.382 Base-Backbone interact. energy: -0.723 local terms energy: -334.553589 where: bonds (distance) C4'-P energy: -80.152 bonds (distance) P-C4' energy: -57.638 flat angles C4'-P-C4' energy: -85.668 flat angles P-C4'-P energy: -48.236 tors. eta vs tors. theta energy: -62.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -379.914769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.914769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.914769 (E_RNA) where: Base-Base interactions energy: -121.035 where: short stacking energy: -63.395 Base-Backbone interact. energy: -5.916 local terms energy: -252.964045 where: bonds (distance) C4'-P energy: -81.963 bonds (distance) P-C4' energy: -81.923 flat angles C4'-P-C4' energy: -66.301 flat angles P-C4'-P energy: -50.203 tors. eta vs tors. theta energy: 27.427 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: 4 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1738.158458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.158458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.158458 (E_RNA) where: Base-Base interactions energy: -1229.926 where: short stacking energy: -469.928 Base-Backbone interact. energy: -1.247 local terms energy: -506.985490 where: bonds (distance) C4'-P energy: -95.155 bonds (distance) P-C4' energy: -98.829 flat angles C4'-P-C4' energy: -112.316 flat angles P-C4'-P energy: -65.513 tors. eta vs tors. theta energy: -135.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1663.708066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.708066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.708066 (E_RNA) where: Base-Base interactions energy: -1165.828 where: short stacking energy: -472.111 Base-Backbone interact. energy: -2.080 local terms energy: -495.799899 where: bonds (distance) C4'-P energy: -86.060 bonds (distance) P-C4' energy: -98.121 flat angles C4'-P-C4' energy: -104.720 flat angles P-C4'-P energy: -73.080 tors. eta vs tors. theta energy: -133.819 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: 54 Temperature: 1.000000 Total energy: -1523.115509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.115509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.115509 (E_RNA) where: Base-Base interactions energy: -1032.264 where: short stacking energy: -451.076 Base-Backbone interact. energy: -1.306 local terms energy: -489.544999 where: bonds (distance) C4'-P energy: -97.443 bonds (distance) P-C4' energy: -82.959 flat angles C4'-P-C4' energy: -106.253 flat angles P-C4'-P energy: -76.237 tors. eta vs tors. theta energy: -126.653 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: 2 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1520.717651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.717651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.717651 (E_RNA) where: Base-Base interactions energy: -1044.131 where: short stacking energy: -429.987 Base-Backbone interact. energy: -1.064 local terms energy: -475.522225 where: bonds (distance) C4'-P energy: -89.358 bonds (distance) P-C4' energy: -87.684 flat angles C4'-P-C4' energy: -100.865 flat angles P-C4'-P energy: -76.116 tors. eta vs tors. theta energy: -121.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1413.183305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.183305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.183305 (E_RNA) where: Base-Base interactions energy: -950.074 where: short stacking energy: -376.305 Base-Backbone interact. energy: -0.853 local terms energy: -462.256534 where: bonds (distance) C4'-P energy: -84.937 bonds (distance) P-C4' energy: -90.148 flat angles C4'-P-C4' energy: -96.325 flat angles P-C4'-P energy: -79.653 tors. eta vs tors. theta energy: -111.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1277.084473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.084473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.084473 (E_RNA) where: Base-Base interactions energy: -859.893 where: short stacking energy: -357.847 Base-Backbone interact. energy: -4.391 local terms energy: -412.800842 where: bonds (distance) C4'-P energy: -80.265 bonds (distance) P-C4' energy: -90.965 flat angles C4'-P-C4' energy: -94.929 flat angles P-C4'-P energy: -62.785 tors. eta vs tors. theta energy: -83.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1206.019787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.019787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.019787 (E_RNA) where: Base-Base interactions energy: -780.258 where: short stacking energy: -351.379 Base-Backbone interact. energy: -0.726 local terms energy: -425.035133 where: bonds (distance) C4'-P energy: -79.658 bonds (distance) P-C4' energy: -94.580 flat angles C4'-P-C4' energy: -91.943 flat angles P-C4'-P energy: -57.594 tors. eta vs tors. theta energy: -101.260 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: 54 Temperature: 1.250000 Total energy: -1135.816861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.816861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.816861 (E_RNA) where: Base-Base interactions energy: -740.998 where: short stacking energy: -327.296 Base-Backbone interact. energy: -1.237 local terms energy: -393.581915 where: bonds (distance) C4'-P energy: -62.315 bonds (distance) P-C4' energy: -93.655 flat angles C4'-P-C4' energy: -92.697 flat angles P-C4'-P energy: -55.204 tors. eta vs tors. theta energy: -89.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -999.330268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.330268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.330268 (E_RNA) where: Base-Base interactions energy: -636.108 where: short stacking energy: -294.049 Base-Backbone interact. energy: 1.853 local terms energy: -365.075303 where: bonds (distance) C4'-P energy: -60.210 bonds (distance) P-C4' energy: -73.681 flat angles C4'-P-C4' energy: -87.167 flat angles P-C4'-P energy: -67.183 tors. eta vs tors. theta energy: -76.834 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: 10 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -433.815947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.815947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.815947 (E_RNA) where: Base-Base interactions energy: -181.269 where: short stacking energy: -111.553 Base-Backbone interact. energy: 1.940 local terms energy: -254.487619 where: bonds (distance) C4'-P energy: -82.205 bonds (distance) P-C4' energy: -79.506 flat angles C4'-P-C4' energy: -67.361 flat angles P-C4'-P energy: -29.111 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: 1, replica: 4 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1728.410822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.410822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.410822 (E_RNA) where: Base-Base interactions energy: -1213.660 where: short stacking energy: -468.675 Base-Backbone interact. energy: 3.377 local terms energy: -518.127715 where: bonds (distance) C4'-P energy: -104.312 bonds (distance) P-C4' energy: -98.556 flat angles C4'-P-C4' energy: -102.804 flat angles P-C4'-P energy: -73.794 tors. eta vs tors. theta energy: -138.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1683.088070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.088070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.088070 (E_RNA) where: Base-Base interactions energy: -1184.947 where: short stacking energy: -460.341 Base-Backbone interact. energy: -1.986 local terms energy: -496.154909 where: bonds (distance) C4'-P energy: -82.329 bonds (distance) P-C4' energy: -100.462 flat angles C4'-P-C4' energy: -109.195 flat angles P-C4'-P energy: -66.993 tors. eta vs tors. theta energy: -137.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1545.901861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.901861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.901861 (E_RNA) where: Base-Base interactions energy: -1054.702 where: short stacking energy: -439.749 Base-Backbone interact. energy: -1.184 local terms energy: -490.016255 where: bonds (distance) C4'-P energy: -78.444 bonds (distance) P-C4' energy: -98.765 flat angles C4'-P-C4' energy: -109.177 flat angles P-C4'-P energy: -74.793 tors. eta vs tors. theta energy: -128.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1432.086914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.086914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.086914 (E_RNA) where: Base-Base interactions energy: -984.008 where: short stacking energy: -405.287 Base-Backbone interact. energy: -0.618 local terms energy: -447.461453 where: bonds (distance) C4'-P energy: -93.093 bonds (distance) P-C4' energy: -84.843 flat angles C4'-P-C4' energy: -96.736 flat angles P-C4'-P energy: -70.815 tors. eta vs tors. theta energy: -101.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1427.312891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.312891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.312891 (E_RNA) where: Base-Base interactions energy: -990.237 where: short stacking energy: -395.136 Base-Backbone interact. energy: 0.020 local terms energy: -437.095536 where: bonds (distance) C4'-P energy: -82.472 bonds (distance) P-C4' energy: -79.897 flat angles C4'-P-C4' energy: -87.611 flat angles P-C4'-P energy: -64.138 tors. eta vs tors. theta energy: -122.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1269.956335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.956335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.956335 (E_RNA) where: Base-Base interactions energy: -848.051 where: short stacking energy: -345.670 Base-Backbone interact. energy: 1.549 local terms energy: -423.455119 where: bonds (distance) C4'-P energy: -80.979 bonds (distance) P-C4' energy: -99.635 flat angles C4'-P-C4' energy: -89.245 flat angles P-C4'-P energy: -66.468 tors. eta vs tors. theta energy: -87.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1219.744741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.744741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.744741 (E_RNA) where: Base-Base interactions energy: -826.520 where: short stacking energy: -365.983 Base-Backbone interact. energy: -0.536 local terms energy: -392.687970 where: bonds (distance) C4'-P energy: -80.626 bonds (distance) P-C4' energy: -75.596 flat angles C4'-P-C4' energy: -88.664 flat angles P-C4'-P energy: -56.696 tors. eta vs tors. theta energy: -91.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1114.163846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.163846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.163846 (E_RNA) where: Base-Base interactions energy: -714.813 where: short stacking energy: -288.732 Base-Backbone interact. energy: 3.061 local terms energy: -402.412267 where: bonds (distance) C4'-P energy: -75.375 bonds (distance) P-C4' energy: -99.630 flat angles C4'-P-C4' energy: -106.056 flat angles P-C4'-P energy: -55.643 tors. eta vs tors. theta energy: -65.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -991.690056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.690056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.690056 (E_RNA) where: Base-Base interactions energy: -660.679 where: short stacking energy: -284.091 Base-Backbone interact. energy: 0.567 local terms energy: -331.577783 where: bonds (distance) C4'-P energy: -65.380 bonds (distance) P-C4' energy: -81.926 flat angles C4'-P-C4' energy: -79.182 flat angles P-C4'-P energy: -48.640 tors. eta vs tors. theta energy: -56.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -373.684940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.684940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.684940 (E_RNA) where: Base-Base interactions energy: -119.533 where: short stacking energy: -78.561 Base-Backbone interact. energy: -2.096 local terms energy: -252.055846 where: bonds (distance) C4'-P energy: -83.236 bonds (distance) P-C4' energy: -85.343 flat angles C4'-P-C4' energy: -80.547 flat angles P-C4'-P energy: -32.611 tors. eta vs tors. theta energy: 29.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1723.073844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.073844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.073844 (E_RNA) where: Base-Base interactions energy: -1207.994 where: short stacking energy: -468.471 Base-Backbone interact. energy: -4.648 local terms energy: -510.432519 where: bonds (distance) C4'-P energy: -95.966 bonds (distance) P-C4' energy: -99.352 flat angles C4'-P-C4' energy: -104.126 flat angles P-C4'-P energy: -73.694 tors. eta vs tors. theta energy: -137.294 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: 8 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1695.424158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.424158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.424158 (E_RNA) where: Base-Base interactions energy: -1182.121 where: short stacking energy: -472.388 Base-Backbone interact. energy: -2.396 local terms energy: -510.907831 where: bonds (distance) C4'-P energy: -98.172 bonds (distance) P-C4' energy: -93.468 flat angles C4'-P-C4' energy: -106.345 flat angles P-C4'-P energy: -67.414 tors. eta vs tors. theta energy: -145.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1548.112892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.112892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.112892 (E_RNA) where: Base-Base interactions energy: -1078.477 where: short stacking energy: -444.657 Base-Backbone interact. energy: -0.523 local terms energy: -469.112371 where: bonds (distance) C4'-P energy: -87.431 bonds (distance) P-C4' energy: -92.080 flat angles C4'-P-C4' energy: -96.859 flat angles P-C4'-P energy: -60.918 tors. eta vs tors. theta energy: -131.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1497.297406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.297406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.297406 (E_RNA) where: Base-Base interactions energy: -1016.640 where: short stacking energy: -419.275 Base-Backbone interact. energy: -0.577 local terms energy: -480.079807 where: bonds (distance) C4'-P energy: -90.010 bonds (distance) P-C4' energy: -96.921 flat angles C4'-P-C4' energy: -101.050 flat angles P-C4'-P energy: -68.641 tors. eta vs tors. theta energy: -123.458 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: 2 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1375.729585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.729585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.729585 (E_RNA) where: Base-Base interactions energy: -959.491 where: short stacking energy: -380.654 Base-Backbone interact. energy: -1.103 local terms energy: -415.135507 where: bonds (distance) C4'-P energy: -65.134 bonds (distance) P-C4' energy: -89.895 flat angles C4'-P-C4' energy: -100.938 flat angles P-C4'-P energy: -60.414 tors. eta vs tors. theta energy: -98.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1258.861990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.861990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.861990 (E_RNA) where: Base-Base interactions energy: -847.241 where: short stacking energy: -355.456 Base-Backbone interact. energy: 2.620 local terms energy: -414.241305 where: bonds (distance) C4'-P energy: -70.656 bonds (distance) P-C4' energy: -91.679 flat angles C4'-P-C4' energy: -89.599 flat angles P-C4'-P energy: -68.700 tors. eta vs tors. theta energy: -93.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1215.095126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.095126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.095126 (E_RNA) where: Base-Base interactions energy: -789.290 where: short stacking energy: -337.072 Base-Backbone interact. energy: -0.872 local terms energy: -424.932773 where: bonds (distance) C4'-P energy: -91.832 bonds (distance) P-C4' energy: -75.488 flat angles C4'-P-C4' energy: -98.392 flat angles P-C4'-P energy: -59.067 tors. eta vs tors. theta energy: -100.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1113.661257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.661257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.661257 (E_RNA) where: Base-Base interactions energy: -751.251 where: short stacking energy: -315.033 Base-Backbone interact. energy: -0.938 local terms energy: -361.471759 where: bonds (distance) C4'-P energy: -65.920 bonds (distance) P-C4' energy: -71.474 flat angles C4'-P-C4' energy: -91.988 flat angles P-C4'-P energy: -43.587 tors. eta vs tors. theta energy: -88.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -980.785084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.785084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.785084 (E_RNA) where: Base-Base interactions energy: -651.433 where: short stacking energy: -283.915 Base-Backbone interact. energy: -2.134 local terms energy: -327.217691 where: bonds (distance) C4'-P energy: -60.491 bonds (distance) P-C4' energy: -80.001 flat angles C4'-P-C4' energy: -78.781 flat angles P-C4'-P energy: -47.767 tors. eta vs tors. theta energy: -60.177 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: 10 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -395.642005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.642005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.642005 (E_RNA) where: Base-Base interactions energy: -127.944 where: short stacking energy: -94.753 Base-Backbone interact. energy: -1.133 local terms energy: -266.565356 where: bonds (distance) C4'-P energy: -65.786 bonds (distance) P-C4' energy: -87.638 flat angles C4'-P-C4' energy: -80.113 flat angles P-C4'-P energy: -47.425 tors. eta vs tors. theta energy: 14.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1744.255726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.255726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.255726 (E_RNA) where: Base-Base interactions energy: -1215.079 where: short stacking energy: -473.394 Base-Backbone interact. energy: 1.099 local terms energy: -530.275210 where: bonds (distance) C4'-P energy: -103.640 bonds (distance) P-C4' energy: -91.614 flat angles C4'-P-C4' energy: -111.833 flat angles P-C4'-P energy: -72.152 tors. eta vs tors. theta energy: -151.037 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: 8 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1698.811593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.811593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.811593 (E_RNA) where: Base-Base interactions energy: -1169.548 where: short stacking energy: -477.657 Base-Backbone interact. energy: -0.326 local terms energy: -528.937438 where: bonds (distance) C4'-P energy: -87.250 bonds (distance) P-C4' energy: -102.896 flat angles C4'-P-C4' energy: -119.850 flat angles P-C4'-P energy: -80.823 tors. eta vs tors. theta energy: -138.119 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: 9 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1534.122973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.122973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.122973 (E_RNA) where: Base-Base interactions energy: -1056.480 where: short stacking energy: -440.004 Base-Backbone interact. energy: -4.330 local terms energy: -473.312340 where: bonds (distance) C4'-P energy: -86.682 bonds (distance) P-C4' energy: -92.359 flat angles C4'-P-C4' energy: -102.843 flat angles P-C4'-P energy: -55.953 tors. eta vs tors. theta energy: -135.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1483.358239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.358239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.358239 (E_RNA) where: Base-Base interactions energy: -1025.176 where: short stacking energy: -416.147 Base-Backbone interact. energy: -1.020 local terms energy: -457.161930 where: bonds (distance) C4'-P energy: -82.661 bonds (distance) P-C4' energy: -92.854 flat angles C4'-P-C4' energy: -107.381 flat angles P-C4'-P energy: -60.390 tors. eta vs tors. theta energy: -113.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1385.962924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.962924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.962924 (E_RNA) where: Base-Base interactions energy: -937.564 where: short stacking energy: -403.336 Base-Backbone interact. energy: -1.165 local terms energy: -447.233925 where: bonds (distance) C4'-P energy: -81.586 bonds (distance) P-C4' energy: -97.843 flat angles C4'-P-C4' energy: -94.439 flat angles P-C4'-P energy: -56.184 tors. eta vs tors. theta energy: -117.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1229.735666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.735666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.735666 (E_RNA) where: Base-Base interactions energy: -809.203 where: short stacking energy: -365.513 Base-Backbone interact. energy: -1.941 local terms energy: -418.591146 where: bonds (distance) C4'-P energy: -87.662 bonds (distance) P-C4' energy: -91.975 flat angles C4'-P-C4' energy: -99.584 flat angles P-C4'-P energy: -51.916 tors. eta vs tors. theta energy: -87.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1126.465206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.465206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.465206 (E_RNA) where: Base-Base interactions energy: -738.052 where: short stacking energy: -324.858 Base-Backbone interact. energy: -1.872 local terms energy: -386.541632 where: bonds (distance) C4'-P energy: -79.119 bonds (distance) P-C4' energy: -86.109 flat angles C4'-P-C4' energy: -84.768 flat angles P-C4'-P energy: -57.531 tors. eta vs tors. theta energy: -79.015 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: 5 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -1136.669261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.669261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.669261 (E_RNA) where: Base-Base interactions energy: -735.297 where: short stacking energy: -316.725 Base-Backbone interact. energy: 0.275 local terms energy: -401.647166 where: bonds (distance) C4'-P energy: -69.984 bonds (distance) P-C4' energy: -90.157 flat angles C4'-P-C4' energy: -103.713 flat angles P-C4'-P energy: -57.153 tors. eta vs tors. theta energy: -80.639 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: 6 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -1021.366653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.366653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.366653 (E_RNA) where: Base-Base interactions energy: -668.951 where: short stacking energy: -302.191 Base-Backbone interact. energy: -0.123 local terms energy: -352.292635 where: bonds (distance) C4'-P energy: -62.821 bonds (distance) P-C4' energy: -80.580 flat angles C4'-P-C4' energy: -93.177 flat angles P-C4'-P energy: -53.942 tors. eta vs tors. theta energy: -61.772 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: 10 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -375.754143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.754143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.754143 (E_RNA) where: Base-Base interactions energy: -158.302 where: short stacking energy: -130.585 Base-Backbone interact. energy: 2.588 local terms energy: -220.040431 where: bonds (distance) C4'-P energy: -75.772 bonds (distance) P-C4' energy: -71.857 flat angles C4'-P-C4' energy: -60.749 flat angles P-C4'-P energy: -16.855 tors. eta vs tors. theta energy: 5.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1730.810954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.810954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.810954 (E_RNA) where: Base-Base interactions energy: -1200.007 where: short stacking energy: -454.284 Base-Backbone interact. energy: -0.210 local terms energy: -530.593436 where: bonds (distance) C4'-P energy: -99.996 bonds (distance) P-C4' energy: -90.970 flat angles C4'-P-C4' energy: -113.406 flat angles P-C4'-P energy: -81.944 tors. eta vs tors. theta energy: -144.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1666.506607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.506607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.506607 (E_RNA) where: Base-Base interactions energy: -1157.324 where: short stacking energy: -443.868 Base-Backbone interact. energy: 0.131 local terms energy: -509.313985 where: bonds (distance) C4'-P energy: -99.912 bonds (distance) P-C4' energy: -85.160 flat angles C4'-P-C4' energy: -109.701 flat angles P-C4'-P energy: -74.883 tors. eta vs tors. theta energy: -139.658 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: 9 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1531.731705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.731705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.731705 (E_RNA) where: Base-Base interactions energy: -1061.473 where: short stacking energy: -419.170 Base-Backbone interact. energy: 1.076 local terms energy: -471.334209 where: bonds (distance) C4'-P energy: -98.249 bonds (distance) P-C4' energy: -84.618 flat angles C4'-P-C4' energy: -104.112 flat angles P-C4'-P energy: -67.031 tors. eta vs tors. theta energy: -117.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1479.635328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.635328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.635328 (E_RNA) where: Base-Base interactions energy: -1029.108 where: short stacking energy: -411.856 Base-Backbone interact. energy: -1.220 local terms energy: -449.307688 where: bonds (distance) C4'-P energy: -92.754 bonds (distance) P-C4' energy: -88.901 flat angles C4'-P-C4' energy: -96.558 flat angles P-C4'-P energy: -59.438 tors. eta vs tors. theta energy: -111.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1304.963090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.963090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.963090 (E_RNA) where: Base-Base interactions energy: -886.183 where: short stacking energy: -372.905 Base-Backbone interact. energy: -1.345 local terms energy: -417.435296 where: bonds (distance) C4'-P energy: -70.057 bonds (distance) P-C4' energy: -104.918 flat angles C4'-P-C4' energy: -90.688 flat angles P-C4'-P energy: -55.402 tors. eta vs tors. theta energy: -96.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1287.759018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.759018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.759018 (E_RNA) where: Base-Base interactions energy: -857.511 where: short stacking energy: -368.190 Base-Backbone interact. energy: -0.500 local terms energy: -429.747901 where: bonds (distance) C4'-P energy: -86.032 bonds (distance) P-C4' energy: -81.691 flat angles C4'-P-C4' energy: -102.326 flat angles P-C4'-P energy: -58.915 tors. eta vs tors. theta energy: -100.783 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: 5 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1181.659398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.659398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.659398 (E_RNA) where: Base-Base interactions energy: -780.357 where: short stacking energy: -335.447 Base-Backbone interact. energy: 0.356 local terms energy: -401.658833 where: bonds (distance) C4'-P energy: -73.624 bonds (distance) P-C4' energy: -91.964 flat angles C4'-P-C4' energy: -90.386 flat angles P-C4'-P energy: -52.411 tors. eta vs tors. theta energy: -93.275 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: 7 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1119.460381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.460381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.460381 (E_RNA) where: Base-Base interactions energy: -731.279 where: short stacking energy: -313.083 Base-Backbone interact. energy: 4.054 local terms energy: -392.235360 where: bonds (distance) C4'-P energy: -73.892 bonds (distance) P-C4' energy: -91.118 flat angles C4'-P-C4' energy: -91.722 flat angles P-C4'-P energy: -55.340 tors. eta vs tors. theta energy: -80.162 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: 58 Temperature: 1.300000 Total energy: -1079.539016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.539016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.539016 (E_RNA) where: Base-Base interactions energy: -709.462 where: short stacking energy: -312.614 Base-Backbone interact. energy: -2.956 local terms energy: -367.121384 where: bonds (distance) C4'-P energy: -82.607 bonds (distance) P-C4' energy: -74.912 flat angles C4'-P-C4' energy: -85.742 flat angles P-C4'-P energy: -63.198 tors. eta vs tors. theta energy: -60.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -402.670424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.670424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.670424 (E_RNA) where: Base-Base interactions energy: -169.449 where: short stacking energy: -111.451 Base-Backbone interact. energy: -2.694 local terms energy: -230.527545 where: bonds (distance) C4'-P energy: -69.226 bonds (distance) P-C4' energy: -74.263 flat angles C4'-P-C4' energy: -66.886 flat angles P-C4'-P energy: -35.917 tors. eta vs tors. theta energy: 15.764 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: 1, replica: 8 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1746.504236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.504236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.504236 (E_RNA) where: Base-Base interactions energy: -1214.903 where: short stacking energy: -486.418 Base-Backbone interact. energy: -1.771 local terms energy: -529.829781 where: bonds (distance) C4'-P energy: -93.507 bonds (distance) P-C4' energy: -98.473 flat angles C4'-P-C4' energy: -117.043 flat angles P-C4'-P energy: -70.973 tors. eta vs tors. theta energy: -149.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1701.146058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.146058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.146058 (E_RNA) where: Base-Base interactions energy: -1175.026 where: short stacking energy: -460.237 Base-Backbone interact. energy: -3.333 local terms energy: -522.787934 where: bonds (distance) C4'-P energy: -94.026 bonds (distance) P-C4' energy: -97.455 flat angles C4'-P-C4' energy: -110.990 flat angles P-C4'-P energy: -77.612 tors. eta vs tors. theta energy: -142.706 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: 9 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1523.232071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.232071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.232071 (E_RNA) where: Base-Base interactions energy: -1034.930 where: short stacking energy: -436.632 Base-Backbone interact. energy: -1.319 local terms energy: -486.983626 where: bonds (distance) C4'-P energy: -96.265 bonds (distance) P-C4' energy: -92.565 flat angles C4'-P-C4' energy: -112.083 flat angles P-C4'-P energy: -62.134 tors. eta vs tors. theta energy: -123.938 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: 1 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1480.322151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.322151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.322151 (E_RNA) where: Base-Base interactions energy: -1020.505 where: short stacking energy: -423.121 Base-Backbone interact. energy: -2.289 local terms energy: -457.528973 where: bonds (distance) C4'-P energy: -87.750 bonds (distance) P-C4' energy: -82.257 flat angles C4'-P-C4' energy: -100.045 flat angles P-C4'-P energy: -66.288 tors. eta vs tors. theta energy: -121.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1259.224916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.224916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.224916 (E_RNA) where: Base-Base interactions energy: -845.608 where: short stacking energy: -362.060 Base-Backbone interact. energy: 2.837 local terms energy: -416.454002 where: bonds (distance) C4'-P energy: -72.677 bonds (distance) P-C4' energy: -92.306 flat angles C4'-P-C4' energy: -88.434 flat angles P-C4'-P energy: -71.556 tors. eta vs tors. theta energy: -91.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1268.615494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.615494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.615494 (E_RNA) where: Base-Base interactions energy: -832.218 where: short stacking energy: -368.359 Base-Backbone interact. energy: -0.234 local terms energy: -436.162850 where: bonds (distance) C4'-P energy: -82.485 bonds (distance) P-C4' energy: -87.497 flat angles C4'-P-C4' energy: -99.157 flat angles P-C4'-P energy: -61.193 tors. eta vs tors. theta energy: -105.831 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: 5 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1193.465593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.465593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.465593 (E_RNA) where: Base-Base interactions energy: -788.868 where: short stacking energy: -330.877 Base-Backbone interact. energy: -1.492 local terms energy: -403.105616 where: bonds (distance) C4'-P energy: -87.269 bonds (distance) P-C4' energy: -86.756 flat angles C4'-P-C4' energy: -85.298 flat angles P-C4'-P energy: -55.650 tors. eta vs tors. theta energy: -88.132 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: 7 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1123.990500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.990500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.990500 (E_RNA) where: Base-Base interactions energy: -721.432 where: short stacking energy: -325.711 Base-Backbone interact. energy: -1.320 local terms energy: -401.238514 where: bonds (distance) C4'-P energy: -74.152 bonds (distance) P-C4' energy: -80.596 flat angles C4'-P-C4' energy: -96.534 flat angles P-C4'-P energy: -57.882 tors. eta vs tors. theta energy: -92.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -1048.676236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.676236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.676236 (E_RNA) where: Base-Base interactions energy: -697.222 where: short stacking energy: -315.711 Base-Backbone interact. energy: -1.465 local terms energy: -349.988991 where: bonds (distance) C4'-P energy: -81.065 bonds (distance) P-C4' energy: -91.845 flat angles C4'-P-C4' energy: -69.494 flat angles P-C4'-P energy: -50.758 tors. eta vs tors. theta energy: -56.827 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: 10 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -367.313343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.313343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.313343 (E_RNA) where: Base-Base interactions energy: -135.880 where: short stacking energy: -118.806 Base-Backbone interact. energy: 0.600 local terms energy: -232.032985 where: bonds (distance) C4'-P energy: -63.293 bonds (distance) P-C4' energy: -86.868 flat angles C4'-P-C4' energy: -58.132 flat angles P-C4'-P energy: -30.946 tors. eta vs tors. theta energy: 7.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1730.167493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.167493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.167493 (E_RNA) where: Base-Base interactions energy: -1208.496 where: short stacking energy: -494.734 Base-Backbone interact. energy: -2.256 local terms energy: -519.415373 where: bonds (distance) C4'-P energy: -90.069 bonds (distance) P-C4' energy: -99.802 flat angles C4'-P-C4' energy: -109.294 flat angles P-C4'-P energy: -77.412 tors. eta vs tors. theta energy: -142.838 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: 4 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1707.008309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.008309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.008309 (E_RNA) where: Base-Base interactions energy: -1189.421 where: short stacking energy: -452.381 Base-Backbone interact. energy: 2.484 local terms energy: -520.071347 where: bonds (distance) C4'-P energy: -101.346 bonds (distance) P-C4' energy: -92.101 flat angles C4'-P-C4' energy: -114.493 flat angles P-C4'-P energy: -71.817 tors. eta vs tors. theta energy: -140.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1542.891738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.891738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.891738 (E_RNA) where: Base-Base interactions energy: -1046.919 where: short stacking energy: -447.231 Base-Backbone interact. energy: 1.808 local terms energy: -497.780365 where: bonds (distance) C4'-P energy: -93.669 bonds (distance) P-C4' energy: -93.841 flat angles C4'-P-C4' energy: -116.163 flat angles P-C4'-P energy: -62.140 tors. eta vs tors. theta energy: -131.966 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: 9 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1500.609916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.609916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.609916 (E_RNA) where: Base-Base interactions energy: -1022.685 where: short stacking energy: -433.631 Base-Backbone interact. energy: -1.062 local terms energy: -476.863036 where: bonds (distance) C4'-P energy: -65.359 bonds (distance) P-C4' energy: -101.932 flat angles C4'-P-C4' energy: -106.961 flat angles P-C4'-P energy: -75.747 tors. eta vs tors. theta energy: -126.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1294.581813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.581813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.581813 (E_RNA) where: Base-Base interactions energy: -865.127 where: short stacking energy: -353.758 Base-Backbone interact. energy: -0.832 local terms energy: -428.622872 where: bonds (distance) C4'-P energy: -82.856 bonds (distance) P-C4' energy: -81.423 flat angles C4'-P-C4' energy: -91.761 flat angles P-C4'-P energy: -78.925 tors. eta vs tors. theta energy: -93.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1283.806696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.806696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.806696 (E_RNA) where: Base-Base interactions energy: -858.672 where: short stacking energy: -370.933 Base-Backbone interact. energy: 1.895 local terms energy: -427.030363 where: bonds (distance) C4'-P energy: -91.086 bonds (distance) P-C4' energy: -87.747 flat angles C4'-P-C4' energy: -90.003 flat angles P-C4'-P energy: -59.276 tors. eta vs tors. theta energy: -98.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1172.827026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.827026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.827026 (E_RNA) where: Base-Base interactions energy: -784.625 where: short stacking energy: -324.905 Base-Backbone interact. energy: -1.773 local terms energy: -386.428786 where: bonds (distance) C4'-P energy: -68.937 bonds (distance) P-C4' energy: -87.419 flat angles C4'-P-C4' energy: -87.935 flat angles P-C4'-P energy: -63.913 tors. eta vs tors. theta energy: -78.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1075.176360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.176360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.176360 (E_RNA) where: Base-Base interactions energy: -723.235 where: short stacking energy: -290.569 Base-Backbone interact. energy: 0.108 local terms energy: -352.049324 where: bonds (distance) C4'-P energy: -70.750 bonds (distance) P-C4' energy: -79.691 flat angles C4'-P-C4' energy: -82.383 flat angles P-C4'-P energy: -58.335 tors. eta vs tors. theta energy: -60.891 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: 6 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -1075.599083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.599083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.599083 (E_RNA) where: Base-Base interactions energy: -733.192 where: short stacking energy: -318.995 Base-Backbone interact. energy: 1.069 local terms energy: -343.475811 where: bonds (distance) C4'-P energy: -66.280 bonds (distance) P-C4' energy: -72.458 flat angles C4'-P-C4' energy: -86.220 flat angles P-C4'-P energy: -41.255 tors. eta vs tors. theta energy: -77.263 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: 10 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -383.140121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.140121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.140121 (E_RNA) where: Base-Base interactions energy: -144.872 where: short stacking energy: -122.544 Base-Backbone interact. energy: 0.457 local terms energy: -238.725410 where: bonds (distance) C4'-P energy: -78.407 bonds (distance) P-C4' energy: -72.846 flat angles C4'-P-C4' energy: -63.276 flat angles P-C4'-P energy: -30.700 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: 1, replica: 8 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1740.843113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.843113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.843113 (E_RNA) where: Base-Base interactions energy: -1205.717 where: short stacking energy: -485.991 Base-Backbone interact. energy: -0.245 local terms energy: -534.881357 where: bonds (distance) C4'-P energy: -101.176 bonds (distance) P-C4' energy: -92.833 flat angles C4'-P-C4' energy: -109.785 flat angles P-C4'-P energy: -85.676 tors. eta vs tors. theta energy: -145.412 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: 2, replica: 4 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1696.071261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.071261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.071261 (E_RNA) where: Base-Base interactions energy: -1186.390 where: short stacking energy: -452.792 Base-Backbone interact. energy: -2.543 local terms energy: -507.139138 where: bonds (distance) C4'-P energy: -86.720 bonds (distance) P-C4' energy: -100.292 flat angles C4'-P-C4' energy: -106.348 flat angles P-C4'-P energy: -74.463 tors. eta vs tors. theta energy: -139.316 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: 1 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1531.842916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.842916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.842916 (E_RNA) where: Base-Base interactions energy: -1040.051 where: short stacking energy: -427.210 Base-Backbone interact. energy: 0.757 local terms energy: -492.549503 where: bonds (distance) C4'-P energy: -95.414 bonds (distance) P-C4' energy: -93.260 flat angles C4'-P-C4' energy: -108.388 flat angles P-C4'-P energy: -73.485 tors. eta vs tors. theta energy: -122.001 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: 4, replica: 9 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1461.374764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.374764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.374764 (E_RNA) where: Base-Base interactions energy: -1001.640 where: short stacking energy: -421.360 Base-Backbone interact. energy: -2.865 local terms energy: -456.869923 where: bonds (distance) C4'-P energy: -81.072 bonds (distance) P-C4' energy: -87.884 flat angles C4'-P-C4' energy: -99.902 flat angles P-C4'-P energy: -65.668 tors. eta vs tors. theta energy: -122.345 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: 2 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1291.093134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.093134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.093134 (E_RNA) where: Base-Base interactions energy: -851.672 where: short stacking energy: -364.384 Base-Backbone interact. energy: -2.099 local terms energy: -437.322121 where: bonds (distance) C4'-P energy: -85.351 bonds (distance) P-C4' energy: -83.610 flat angles C4'-P-C4' energy: -100.667 flat angles P-C4'-P energy: -61.380 tors. eta vs tors. theta energy: -106.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1267.499186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.499186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.499186 (E_RNA) where: Base-Base interactions energy: -851.425 where: short stacking energy: -366.361 Base-Backbone interact. energy: -1.038 local terms energy: -415.036293 where: bonds (distance) C4'-P energy: -88.626 bonds (distance) P-C4' energy: -77.225 flat angles C4'-P-C4' energy: -85.511 flat angles P-C4'-P energy: -61.131 tors. eta vs tors. theta energy: -102.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1187.183920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.183920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.183920 (E_RNA) where: Base-Base interactions energy: -785.446 where: short stacking energy: -330.659 Base-Backbone interact. energy: 3.537 local terms energy: -405.274547 where: bonds (distance) C4'-P energy: -91.768 bonds (distance) P-C4' energy: -81.080 flat angles C4'-P-C4' energy: -83.420 flat angles P-C4'-P energy: -65.695 tors. eta vs tors. theta energy: -83.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1125.409625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.409625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.409625 (E_RNA) where: Base-Base interactions energy: -750.460 where: short stacking energy: -326.329 Base-Backbone interact. energy: -2.508 local terms energy: -372.441697 where: bonds (distance) C4'-P energy: -83.790 bonds (distance) P-C4' energy: -67.433 flat angles C4'-P-C4' energy: -83.791 flat angles P-C4'-P energy: -69.256 tors. eta vs tors. theta energy: -68.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -1007.031055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.031055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.031055 (E_RNA) where: Base-Base interactions energy: -652.808 where: short stacking energy: -273.339 Base-Backbone interact. energy: -0.603 local terms energy: -353.620169 where: bonds (distance) C4'-P energy: -89.693 bonds (distance) P-C4' energy: -81.549 flat angles C4'-P-C4' energy: -79.525 flat angles P-C4'-P energy: -42.155 tors. eta vs tors. theta energy: -60.699 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: 10, replica: 10 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -359.304704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.304704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.304704 (E_RNA) where: Base-Base interactions energy: -125.562 where: short stacking energy: -117.921 Base-Backbone interact. energy: 2.898 local terms energy: -236.640602 where: bonds (distance) C4'-P energy: -70.056 bonds (distance) P-C4' energy: -75.992 flat angles C4'-P-C4' energy: -52.536 flat angles P-C4'-P energy: -42.133 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: 1, replica: 8 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1733.555397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.555397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.555397 (E_RNA) where: Base-Base interactions energy: -1201.014 where: short stacking energy: -478.016 Base-Backbone interact. energy: -2.435 local terms energy: -530.106655 where: bonds (distance) C4'-P energy: -96.477 bonds (distance) P-C4' energy: -101.669 flat angles C4'-P-C4' energy: -115.364 flat angles P-C4'-P energy: -78.572 tors. eta vs tors. theta energy: -138.025 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: 2, replica: 4 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1725.603653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.603653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.603653 (E_RNA) where: Base-Base interactions energy: -1189.463 where: short stacking energy: -477.860 Base-Backbone interact. energy: -0.287 local terms energy: -535.853820 where: bonds (distance) C4'-P energy: -102.930 bonds (distance) P-C4' energy: -97.633 flat angles C4'-P-C4' energy: -109.983 flat angles P-C4'-P energy: -81.213 tors. eta vs tors. theta energy: -144.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1513.254641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.254641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.254641 (E_RNA) where: Base-Base interactions energy: -1039.580 where: short stacking energy: -422.798 Base-Backbone interact. energy: 0.217 local terms energy: -473.891329 where: bonds (distance) C4'-P energy: -98.744 bonds (distance) P-C4' energy: -84.177 flat angles C4'-P-C4' energy: -108.866 flat angles P-C4'-P energy: -59.660 tors. eta vs tors. theta energy: -122.443 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: 9 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1479.083265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.083265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.083265 (E_RNA) where: Base-Base interactions energy: -1017.779 where: short stacking energy: -422.625 Base-Backbone interact. energy: -1.546 local terms energy: -459.758376 where: bonds (distance) C4'-P energy: -97.809 bonds (distance) P-C4' energy: -84.505 flat angles C4'-P-C4' energy: -96.423 flat angles P-C4'-P energy: -63.686 tors. eta vs tors. theta energy: -117.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1242.742648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.742648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.742648 (E_RNA) where: Base-Base interactions energy: -830.148 where: short stacking energy: -362.052 Base-Backbone interact. energy: -2.953 local terms energy: -409.641721 where: bonds (distance) C4'-P energy: -80.602 bonds (distance) P-C4' energy: -87.942 flat angles C4'-P-C4' energy: -89.611 flat angles P-C4'-P energy: -43.368 tors. eta vs tors. theta energy: -108.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1274.234152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.234152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.234152 (E_RNA) where: Base-Base interactions energy: -852.718 where: short stacking energy: -352.923 Base-Backbone interact. energy: -1.205 local terms energy: -420.311092 where: bonds (distance) C4'-P energy: -71.067 bonds (distance) P-C4' energy: -84.311 flat angles C4'-P-C4' energy: -95.167 flat angles P-C4'-P energy: -68.803 tors. eta vs tors. theta energy: -100.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1149.432720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.432720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.432720 (E_RNA) where: Base-Base interactions energy: -747.743 where: short stacking energy: -314.664 Base-Backbone interact. energy: -3.390 local terms energy: -398.299594 where: bonds (distance) C4'-P energy: -99.790 bonds (distance) P-C4' energy: -68.246 flat angles C4'-P-C4' energy: -99.052 flat angles P-C4'-P energy: -54.011 tors. eta vs tors. theta energy: -77.201 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: 6 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1149.146327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.146327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.146327 (E_RNA) where: Base-Base interactions energy: -738.827 where: short stacking energy: -327.738 Base-Backbone interact. energy: -1.972 local terms energy: -408.346822 where: bonds (distance) C4'-P energy: -77.892 bonds (distance) P-C4' energy: -76.776 flat angles C4'-P-C4' energy: -100.183 flat angles P-C4'-P energy: -65.637 tors. eta vs tors. theta energy: -87.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -965.094661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.094661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.094661 (E_RNA) where: Base-Base interactions energy: -635.036 where: short stacking energy: -266.725 Base-Backbone interact. energy: -2.150 local terms energy: -327.909203 where: bonds (distance) C4'-P energy: -66.286 bonds (distance) P-C4' energy: -73.086 flat angles C4'-P-C4' energy: -88.305 flat angles P-C4'-P energy: -43.732 tors. eta vs tors. theta energy: -56.500 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: 10, replica: 10 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -377.379491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.379491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.379491 (E_RNA) where: Base-Base interactions energy: -143.543 where: short stacking energy: -107.262 Base-Backbone interact. energy: -0.001 local terms energy: -233.835790 where: bonds (distance) C4'-P energy: -67.086 bonds (distance) P-C4' energy: -75.405 flat angles C4'-P-C4' energy: -74.822 flat angles P-C4'-P energy: -26.653 tors. eta vs tors. theta energy: 10.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1760.676145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.676145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.676145 (E_RNA) where: Base-Base interactions energy: -1222.307 where: short stacking energy: -477.370 Base-Backbone interact. energy: -3.025 local terms energy: -535.344367 where: bonds (distance) C4'-P energy: -97.147 bonds (distance) P-C4' energy: -104.526 flat angles C4'-P-C4' energy: -112.767 flat angles P-C4'-P energy: -79.880 tors. eta vs tors. theta energy: -141.024 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: 2, replica: 4 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1709.750145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.750145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.750145 (E_RNA) where: Base-Base interactions energy: -1179.209 where: short stacking energy: -470.288 Base-Backbone interact. energy: -2.261 local terms energy: -528.280544 where: bonds (distance) C4'-P energy: -100.048 bonds (distance) P-C4' energy: -102.701 flat angles C4'-P-C4' energy: -109.682 flat angles P-C4'-P energy: -77.656 tors. eta vs tors. theta energy: -138.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1548.608545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.608545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.608545 (E_RNA) where: Base-Base interactions energy: -1059.501 where: short stacking energy: -420.747 Base-Backbone interact. energy: 0.527 local terms energy: -489.634691 where: bonds (distance) C4'-P energy: -94.789 bonds (distance) P-C4' energy: -99.586 flat angles C4'-P-C4' energy: -111.633 flat angles P-C4'-P energy: -62.877 tors. eta vs tors. theta energy: -120.749 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: 9 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1477.334124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.334124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.334124 (E_RNA) where: Base-Base interactions energy: -1016.600 where: short stacking energy: -416.240 Base-Backbone interact. energy: -0.936 local terms energy: -459.797712 where: bonds (distance) C4'-P energy: -85.887 bonds (distance) P-C4' energy: -84.910 flat angles C4'-P-C4' energy: -100.085 flat angles P-C4'-P energy: -71.897 tors. eta vs tors. theta energy: -117.019 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: 2 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1272.608752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.608752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.608752 (E_RNA) where: Base-Base interactions energy: -848.301 where: short stacking energy: -361.211 Base-Backbone interact. energy: -2.149 local terms energy: -422.158305 where: bonds (distance) C4'-P energy: -79.152 bonds (distance) P-C4' energy: -95.605 flat angles C4'-P-C4' energy: -95.190 flat angles P-C4'-P energy: -53.321 tors. eta vs tors. theta energy: -98.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1263.015164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.015164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.015164 (E_RNA) where: Base-Base interactions energy: -828.910 where: short stacking energy: -358.433 Base-Backbone interact. energy: -0.481 local terms energy: -433.624584 where: bonds (distance) C4'-P energy: -89.431 bonds (distance) P-C4' energy: -98.448 flat angles C4'-P-C4' energy: -86.440 flat angles P-C4'-P energy: -68.577 tors. eta vs tors. theta energy: -90.729 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: 5 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1264.264390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.264390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.264390 (E_RNA) where: Base-Base interactions energy: -838.816 where: short stacking energy: -371.156 Base-Backbone interact. energy: 1.428 local terms energy: -426.877233 where: bonds (distance) C4'-P energy: -75.819 bonds (distance) P-C4' energy: -89.224 flat angles C4'-P-C4' energy: -89.054 flat angles P-C4'-P energy: -66.124 tors. eta vs tors. theta energy: -106.657 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: 6 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1131.374419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.374419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.374419 (E_RNA) where: Base-Base interactions energy: -741.095 where: short stacking energy: -314.384 Base-Backbone interact. energy: 1.371 local terms energy: -391.650419 where: bonds (distance) C4'-P energy: -86.587 bonds (distance) P-C4' energy: -88.188 flat angles C4'-P-C4' energy: -81.198 flat angles P-C4'-P energy: -47.290 tors. eta vs tors. theta energy: -88.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -1068.966526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.966526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.966526 (E_RNA) where: Base-Base interactions energy: -728.662 where: short stacking energy: -310.534 Base-Backbone interact. energy: -2.786 local terms energy: -337.517900 where: bonds (distance) C4'-P energy: -61.493 bonds (distance) P-C4' energy: -79.448 flat angles C4'-P-C4' energy: -81.572 flat angles P-C4'-P energy: -35.632 tors. eta vs tors. theta energy: -79.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -372.728278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.728278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.728278 (E_RNA) where: Base-Base interactions energy: -119.414 where: short stacking energy: -109.191 Base-Backbone interact. energy: 4.144 local terms energy: -257.458738 where: bonds (distance) C4'-P energy: -83.714 bonds (distance) P-C4' energy: -83.303 flat angles C4'-P-C4' energy: -64.955 flat angles P-C4'-P energy: -41.530 tors. eta vs tors. theta energy: 16.043 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: 8 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1770.099590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.099590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.099590 (E_RNA) where: Base-Base interactions energy: -1258.417 where: short stacking energy: -500.691 Base-Backbone interact. energy: -1.246 local terms energy: -510.436016 where: bonds (distance) C4'-P energy: -74.674 bonds (distance) P-C4' energy: -97.809 flat angles C4'-P-C4' energy: -113.322 flat angles P-C4'-P energy: -77.950 tors. eta vs tors. theta energy: -146.682 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: 4 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1705.600553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.600553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.600553 (E_RNA) where: Base-Base interactions energy: -1183.955 where: short stacking energy: -486.581 Base-Backbone interact. energy: -2.403 local terms energy: -519.242480 where: bonds (distance) C4'-P energy: -93.729 bonds (distance) P-C4' energy: -98.599 flat angles C4'-P-C4' energy: -102.612 flat angles P-C4'-P energy: -79.274 tors. eta vs tors. theta energy: -145.028 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: 1 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1576.307158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.307158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.307158 (E_RNA) where: Base-Base interactions energy: -1085.005 where: short stacking energy: -445.563 Base-Backbone interact. energy: -1.564 local terms energy: -489.738186 where: bonds (distance) C4'-P energy: -95.047 bonds (distance) P-C4' energy: -82.536 flat angles C4'-P-C4' energy: -102.752 flat angles P-C4'-P energy: -76.433 tors. eta vs tors. theta energy: -132.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1491.693158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.693158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.693158 (E_RNA) where: Base-Base interactions energy: -1028.423 where: short stacking energy: -426.290 Base-Backbone interact. energy: -0.376 local terms energy: -462.893571 where: bonds (distance) C4'-P energy: -81.948 bonds (distance) P-C4' energy: -90.467 flat angles C4'-P-C4' energy: -92.363 flat angles P-C4'-P energy: -78.155 tors. eta vs tors. theta energy: -119.960 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: 3 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1311.940483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.940483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.940483 (E_RNA) where: Base-Base interactions energy: -891.867 where: short stacking energy: -386.892 Base-Backbone interact. energy: 2.979 local terms energy: -423.052726 where: bonds (distance) C4'-P energy: -86.711 bonds (distance) P-C4' energy: -82.263 flat angles C4'-P-C4' energy: -97.338 flat angles P-C4'-P energy: -57.294 tors. eta vs tors. theta energy: -99.446 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: 6, replica: 2 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1238.091555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.091555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.091555 (E_RNA) where: Base-Base interactions energy: -831.329 where: short stacking energy: -350.473 Base-Backbone interact. energy: 0.501 local terms energy: -407.263439 where: bonds (distance) C4'-P energy: -85.491 bonds (distance) P-C4' energy: -78.755 flat angles C4'-P-C4' energy: -93.562 flat angles P-C4'-P energy: -59.275 tors. eta vs tors. theta energy: -90.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1223.244355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.244355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.244355 (E_RNA) where: Base-Base interactions energy: -820.082 where: short stacking energy: -337.477 Base-Backbone interact. energy: -3.926 local terms energy: -399.236423 where: bonds (distance) C4'-P energy: -74.201 bonds (distance) P-C4' energy: -83.657 flat angles C4'-P-C4' energy: -90.672 flat angles P-C4'-P energy: -56.254 tors. eta vs tors. theta energy: -94.453 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: 6 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1137.459101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.459101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.459101 (E_RNA) where: Base-Base interactions energy: -762.241 where: short stacking energy: -330.535 Base-Backbone interact. energy: -2.152 local terms energy: -373.066498 where: bonds (distance) C4'-P energy: -72.947 bonds (distance) P-C4' energy: -76.788 flat angles C4'-P-C4' energy: -75.635 flat angles P-C4'-P energy: -58.113 tors. eta vs tors. theta energy: -89.585 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: 7 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -1085.462317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.462317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.462317 (E_RNA) where: Base-Base interactions energy: -732.736 where: short stacking energy: -304.591 Base-Backbone interact. energy: -2.641 local terms energy: -350.085399 where: bonds (distance) C4'-P energy: -73.084 bonds (distance) P-C4' energy: -70.179 flat angles C4'-P-C4' energy: -89.068 flat angles P-C4'-P energy: -42.726 tors. eta vs tors. theta energy: -75.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -361.215439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.215439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.215439 (E_RNA) where: Base-Base interactions energy: -118.719 where: short stacking energy: -89.855 Base-Backbone interact. energy: -0.628 local terms energy: -241.868191 where: bonds (distance) C4'-P energy: -82.901 bonds (distance) P-C4' energy: -74.723 flat angles C4'-P-C4' energy: -64.620 flat angles P-C4'-P energy: -41.745 tors. eta vs tors. theta energy: 22.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1784.280069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.280069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.280069 (E_RNA) where: Base-Base interactions energy: -1239.243 where: short stacking energy: -477.642 Base-Backbone interact. energy: -1.504 local terms energy: -543.533220 where: bonds (distance) C4'-P energy: -105.911 bonds (distance) P-C4' energy: -99.377 flat angles C4'-P-C4' energy: -117.587 flat angles P-C4'-P energy: -70.411 tors. eta vs tors. theta energy: -150.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1693.409743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.409743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.409743 (E_RNA) where: Base-Base interactions energy: -1182.195 where: short stacking energy: -454.270 Base-Backbone interact. energy: -2.990 local terms energy: -508.224379 where: bonds (distance) C4'-P energy: -99.498 bonds (distance) P-C4' energy: -99.631 flat angles C4'-P-C4' energy: -101.643 flat angles P-C4'-P energy: -71.451 tors. eta vs tors. theta energy: -136.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1553.221961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.221961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.221961 (E_RNA) where: Base-Base interactions energy: -1053.616 where: short stacking energy: -433.867 Base-Backbone interact. energy: -0.482 local terms energy: -499.124005 where: bonds (distance) C4'-P energy: -98.021 bonds (distance) P-C4' energy: -96.231 flat angles C4'-P-C4' energy: -108.119 flat angles P-C4'-P energy: -71.354 tors. eta vs tors. theta energy: -125.400 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: 4, replica: 9 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1485.975317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.975317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.975317 (E_RNA) where: Base-Base interactions energy: -1041.026 where: short stacking energy: -428.260 Base-Backbone interact. energy: 1.818 local terms energy: -446.767792 where: bonds (distance) C4'-P energy: -73.333 bonds (distance) P-C4' energy: -98.977 flat angles C4'-P-C4' energy: -95.978 flat angles P-C4'-P energy: -66.784 tors. eta vs tors. theta energy: -111.696 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: 3 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1334.286475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.286475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.286475 (E_RNA) where: Base-Base interactions energy: -889.601 where: short stacking energy: -387.691 Base-Backbone interact. energy: -1.326 local terms energy: -443.359401 where: bonds (distance) C4'-P energy: -82.754 bonds (distance) P-C4' energy: -92.933 flat angles C4'-P-C4' energy: -100.769 flat angles P-C4'-P energy: -58.227 tors. eta vs tors. theta energy: -108.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1192.906879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.906879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.906879 (E_RNA) where: Base-Base interactions energy: -774.447 where: short stacking energy: -348.656 Base-Backbone interact. energy: 1.552 local terms energy: -420.012013 where: bonds (distance) C4'-P energy: -90.049 bonds (distance) P-C4' energy: -82.907 flat angles C4'-P-C4' energy: -95.003 flat angles P-C4'-P energy: -63.752 tors. eta vs tors. theta energy: -88.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1234.783086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.783086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.783086 (E_RNA) where: Base-Base interactions energy: -832.314 where: short stacking energy: -362.881 Base-Backbone interact. energy: -1.205 local terms energy: -401.263723 where: bonds (distance) C4'-P energy: -68.835 bonds (distance) P-C4' energy: -93.281 flat angles C4'-P-C4' energy: -100.443 flat angles P-C4'-P energy: -46.724 tors. eta vs tors. theta energy: -91.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1144.659997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.659997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.659997 (E_RNA) where: Base-Base interactions energy: -744.061 where: short stacking energy: -339.179 Base-Backbone interact. energy: 1.813 local terms energy: -402.411894 where: bonds (distance) C4'-P energy: -87.475 bonds (distance) P-C4' energy: -82.574 flat angles C4'-P-C4' energy: -91.011 flat angles P-C4'-P energy: -51.683 tors. eta vs tors. theta energy: -89.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -978.852497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.852497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.852497 (E_RNA) where: Base-Base interactions energy: -612.073 where: short stacking energy: -264.341 Base-Backbone interact. energy: -1.664 local terms energy: -365.115848 where: bonds (distance) C4'-P energy: -81.939 bonds (distance) P-C4' energy: -84.021 flat angles C4'-P-C4' energy: -80.850 flat angles P-C4'-P energy: -56.282 tors. eta vs tors. theta energy: -62.023 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: 10, replica: 10 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -368.709222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.709222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.709222 (E_RNA) where: Base-Base interactions energy: -114.289 where: short stacking energy: -101.164 Base-Backbone interact. energy: -0.846 local terms energy: -253.574980 where: bonds (distance) C4'-P energy: -73.979 bonds (distance) P-C4' energy: -86.444 flat angles C4'-P-C4' energy: -55.293 flat angles P-C4'-P energy: -38.769 tors. eta vs tors. theta energy: 0.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1805.515209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.515209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.515209 (E_RNA) where: Base-Base interactions energy: -1252.139 where: short stacking energy: -488.548 Base-Backbone interact. energy: -1.111 local terms energy: -552.264996 where: bonds (distance) C4'-P energy: -108.263 bonds (distance) P-C4' energy: -102.275 flat angles C4'-P-C4' energy: -110.964 flat angles P-C4'-P energy: -75.614 tors. eta vs tors. theta energy: -155.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1693.981900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.981900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.981900 (E_RNA) where: Base-Base interactions energy: -1162.888 where: short stacking energy: -461.170 Base-Backbone interact. energy: -5.067 local terms energy: -526.027349 where: bonds (distance) C4'-P energy: -97.347 bonds (distance) P-C4' energy: -92.559 flat angles C4'-P-C4' energy: -110.818 flat angles P-C4'-P energy: -78.892 tors. eta vs tors. theta energy: -146.412 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: 9 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1563.927575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.927575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.927575 (E_RNA) where: Base-Base interactions energy: -1073.625 where: short stacking energy: -438.154 Base-Backbone interact. energy: -1.762 local terms energy: -488.540701 where: bonds (distance) C4'-P energy: -92.879 bonds (distance) P-C4' energy: -101.927 flat angles C4'-P-C4' energy: -104.965 flat angles P-C4'-P energy: -69.373 tors. eta vs tors. theta energy: -119.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1516.078440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.078440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.078440 (E_RNA) where: Base-Base interactions energy: -1049.494 where: short stacking energy: -445.081 Base-Backbone interact. energy: 1.098 local terms energy: -467.682414 where: bonds (distance) C4'-P energy: -84.068 bonds (distance) P-C4' energy: -88.788 flat angles C4'-P-C4' energy: -105.588 flat angles P-C4'-P energy: -66.616 tors. eta vs tors. theta energy: -122.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1331.809903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.809903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.809903 (E_RNA) where: Base-Base interactions energy: -883.213 where: short stacking energy: -374.584 Base-Backbone interact. energy: -1.571 local terms energy: -447.025068 where: bonds (distance) C4'-P energy: -80.834 bonds (distance) P-C4' energy: -89.103 flat angles C4'-P-C4' energy: -103.925 flat angles P-C4'-P energy: -57.960 tors. eta vs tors. theta energy: -115.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1183.062677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.062677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.062677 (E_RNA) where: Base-Base interactions energy: -782.786 where: short stacking energy: -348.596 Base-Backbone interact. energy: -2.032 local terms energy: -398.244644 where: bonds (distance) C4'-P energy: -76.286 bonds (distance) P-C4' energy: -81.919 flat angles C4'-P-C4' energy: -82.731 flat angles P-C4'-P energy: -65.310 tors. eta vs tors. theta energy: -91.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1205.425569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.425569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.425569 (E_RNA) where: Base-Base interactions energy: -777.663 where: short stacking energy: -358.769 Base-Backbone interact. energy: -1.468 local terms energy: -426.295013 where: bonds (distance) C4'-P energy: -88.742 bonds (distance) P-C4' energy: -91.542 flat angles C4'-P-C4' energy: -83.982 flat angles P-C4'-P energy: -69.923 tors. eta vs tors. theta energy: -92.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1203.231523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.231523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.231523 (E_RNA) where: Base-Base interactions energy: -809.898 where: short stacking energy: -322.722 Base-Backbone interact. energy: -1.850 local terms energy: -391.483230 where: bonds (distance) C4'-P energy: -72.872 bonds (distance) P-C4' energy: -84.565 flat angles C4'-P-C4' energy: -97.406 flat angles P-C4'-P energy: -49.468 tors. eta vs tors. theta energy: -87.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -846.504327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.504327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.504327 (E_RNA) where: Base-Base interactions energy: -525.408 where: short stacking energy: -232.559 Base-Backbone interact. energy: 5.869 local terms energy: -326.965890 where: bonds (distance) C4'-P energy: -65.004 bonds (distance) P-C4' energy: -89.057 flat angles C4'-P-C4' energy: -79.005 flat angles P-C4'-P energy: -49.888 tors. eta vs tors. theta energy: -44.012 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: 10 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -371.802533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.802533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.802533 (E_RNA) where: Base-Base interactions energy: -118.428 where: short stacking energy: -102.464 Base-Backbone interact. energy: -2.222 local terms energy: -251.152478 where: bonds (distance) C4'-P energy: -86.344 bonds (distance) P-C4' energy: -89.241 flat angles C4'-P-C4' energy: -64.918 flat angles P-C4'-P energy: -30.809 tors. eta vs tors. theta energy: 20.160 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: 8 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1806.285701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.285701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.285701 (E_RNA) where: Base-Base interactions energy: -1269.031 where: short stacking energy: -503.914 Base-Backbone interact. energy: -3.544 local terms energy: -533.711238 where: bonds (distance) C4'-P energy: -98.835 bonds (distance) P-C4' energy: -93.576 flat angles C4'-P-C4' energy: -111.091 flat angles P-C4'-P energy: -80.188 tors. eta vs tors. theta energy: -150.020 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: 4 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1688.716984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.716984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.716984 (E_RNA) where: Base-Base interactions energy: -1188.609 where: short stacking energy: -466.984 Base-Backbone interact. energy: -3.203 local terms energy: -496.905925 where: bonds (distance) C4'-P energy: -85.584 bonds (distance) P-C4' energy: -91.912 flat angles C4'-P-C4' energy: -107.160 flat angles P-C4'-P energy: -69.888 tors. eta vs tors. theta energy: -142.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1541.108118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.108118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.108118 (E_RNA) where: Base-Base interactions energy: -1055.593 where: short stacking energy: -439.518 Base-Backbone interact. energy: 0.504 local terms energy: -486.019094 where: bonds (distance) C4'-P energy: -93.260 bonds (distance) P-C4' energy: -93.362 flat angles C4'-P-C4' energy: -105.544 flat angles P-C4'-P energy: -71.302 tors. eta vs tors. theta energy: -122.551 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: 67 Temperature: 1.050000 Total energy: -1486.223661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.223661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.223661 (E_RNA) where: Base-Base interactions energy: -1032.940 where: short stacking energy: -424.551 Base-Backbone interact. energy: -0.336 local terms energy: -452.947201 where: bonds (distance) C4'-P energy: -77.438 bonds (distance) P-C4' energy: -94.361 flat angles C4'-P-C4' energy: -94.084 flat angles P-C4'-P energy: -62.907 tors. eta vs tors. theta energy: -124.158 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: 3 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1344.660303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.660303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.660303 (E_RNA) where: Base-Base interactions energy: -919.960 where: short stacking energy: -383.978 Base-Backbone interact. energy: -2.228 local terms energy: -422.471997 where: bonds (distance) C4'-P energy: -74.616 bonds (distance) P-C4' energy: -87.917 flat angles C4'-P-C4' energy: -82.344 flat angles P-C4'-P energy: -71.645 tors. eta vs tors. theta energy: -105.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1223.137024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.137024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.137024 (E_RNA) where: Base-Base interactions energy: -800.442 where: short stacking energy: -340.128 Base-Backbone interact. energy: -0.938 local terms energy: -421.756145 where: bonds (distance) C4'-P energy: -84.178 bonds (distance) P-C4' energy: -81.532 flat angles C4'-P-C4' energy: -95.410 flat angles P-C4'-P energy: -63.476 tors. eta vs tors. theta energy: -97.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1117.307453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.307453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.307453 (E_RNA) where: Base-Base interactions energy: -740.266 where: short stacking energy: -324.665 Base-Backbone interact. energy: 1.745 local terms energy: -378.786451 where: bonds (distance) C4'-P energy: -82.062 bonds (distance) P-C4' energy: -73.704 flat angles C4'-P-C4' energy: -82.375 flat angles P-C4'-P energy: -58.015 tors. eta vs tors. theta energy: -82.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1205.869839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.869839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.869839 (E_RNA) where: Base-Base interactions energy: -784.249 where: short stacking energy: -340.714 Base-Backbone interact. energy: -0.611 local terms energy: -421.008895 where: bonds (distance) C4'-P energy: -87.344 bonds (distance) P-C4' energy: -93.729 flat angles C4'-P-C4' energy: -88.724 flat angles P-C4'-P energy: -59.865 tors. eta vs tors. theta energy: -91.348 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: 7 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -834.378138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.378138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.378138 (E_RNA) where: Base-Base interactions energy: -512.987 where: short stacking energy: -241.088 Base-Backbone interact. energy: -0.243 local terms energy: -321.147271 where: bonds (distance) C4'-P energy: -60.871 bonds (distance) P-C4' energy: -90.299 flat angles C4'-P-C4' energy: -77.392 flat angles P-C4'-P energy: -49.031 tors. eta vs tors. theta energy: -43.555 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: 10 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -376.492227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.492227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.492227 (E_RNA) where: Base-Base interactions energy: -114.248 where: short stacking energy: -93.793 Base-Backbone interact. energy: -0.679 local terms energy: -261.565126 where: bonds (distance) C4'-P energy: -85.329 bonds (distance) P-C4' energy: -77.715 flat angles C4'-P-C4' energy: -77.138 flat angles P-C4'-P energy: -43.946 tors. eta vs tors. theta energy: 22.563 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: 1, replica: 8 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1802.350998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.350998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.350998 (E_RNA) where: Base-Base interactions energy: -1277.205 where: short stacking energy: -506.748 Base-Backbone interact. energy: -1.742 local terms energy: -523.403784 where: bonds (distance) C4'-P energy: -94.330 bonds (distance) P-C4' energy: -88.594 flat angles C4'-P-C4' energy: -112.941 flat angles P-C4'-P energy: -82.892 tors. eta vs tors. theta energy: -144.648 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: 4 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1692.522841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.522841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.522841 (E_RNA) where: Base-Base interactions energy: -1198.697 where: short stacking energy: -455.082 Base-Backbone interact. energy: 0.104 local terms energy: -493.929654 where: bonds (distance) C4'-P energy: -90.774 bonds (distance) P-C4' energy: -97.889 flat angles C4'-P-C4' energy: -104.836 flat angles P-C4'-P energy: -70.086 tors. eta vs tors. theta energy: -130.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1562.217978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.217978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.217978 (E_RNA) where: Base-Base interactions energy: -1082.855 where: short stacking energy: -433.666 Base-Backbone interact. energy: -1.092 local terms energy: -478.270552 where: bonds (distance) C4'-P energy: -86.056 bonds (distance) P-C4' energy: -93.782 flat angles C4'-P-C4' energy: -105.964 flat angles P-C4'-P energy: -61.445 tors. eta vs tors. theta energy: -131.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1510.565281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.565281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.565281 (E_RNA) where: Base-Base interactions energy: -1059.096 where: short stacking energy: -430.501 Base-Backbone interact. energy: 1.232 local terms energy: -452.700915 where: bonds (distance) C4'-P energy: -91.689 bonds (distance) P-C4' energy: -79.555 flat angles C4'-P-C4' energy: -110.129 flat angles P-C4'-P energy: -54.072 tors. eta vs tors. theta energy: -117.255 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: 3 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1417.151349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.151349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.151349 (E_RNA) where: Base-Base interactions energy: -962.193 where: short stacking energy: -390.304 Base-Backbone interact. energy: -0.637 local terms energy: -454.321317 where: bonds (distance) C4'-P energy: -84.636 bonds (distance) P-C4' energy: -86.171 flat angles C4'-P-C4' energy: -97.859 flat angles P-C4'-P energy: -67.340 tors. eta vs tors. theta energy: -118.316 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: 6, replica: 6 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1214.960991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.960991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.960991 (E_RNA) where: Base-Base interactions energy: -803.136 where: short stacking energy: -336.146 Base-Backbone interact. energy: -1.692 local terms energy: -410.133070 where: bonds (distance) C4'-P energy: -89.254 bonds (distance) P-C4' energy: -85.625 flat angles C4'-P-C4' energy: -90.364 flat angles P-C4'-P energy: -56.439 tors. eta vs tors. theta energy: -88.450 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: 68 Temperature: 1.200000 Total energy: -1281.095927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.095927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.095927 (E_RNA) where: Base-Base interactions energy: -845.631 where: short stacking energy: -355.234 Base-Backbone interact. energy: -1.577 local terms energy: -433.887511 where: bonds (distance) C4'-P energy: -80.524 bonds (distance) P-C4' energy: -92.882 flat angles C4'-P-C4' energy: -95.838 flat angles P-C4'-P energy: -67.692 tors. eta vs tors. theta energy: -96.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1089.265660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.265660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.265660 (E_RNA) where: Base-Base interactions energy: -701.476 where: short stacking energy: -310.727 Base-Backbone interact. energy: -1.816 local terms energy: -385.973642 where: bonds (distance) C4'-P energy: -80.340 bonds (distance) P-C4' energy: -78.359 flat angles C4'-P-C4' energy: -86.099 flat angles P-C4'-P energy: -58.123 tors. eta vs tors. theta energy: -83.052 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: 7 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -834.337432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.337432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.337432 (E_RNA) where: Base-Base interactions energy: -496.267 where: short stacking energy: -229.768 Base-Backbone interact. energy: 2.733 local terms energy: -340.802824 where: bonds (distance) C4'-P energy: -86.576 bonds (distance) P-C4' energy: -77.340 flat angles C4'-P-C4' energy: -80.948 flat angles P-C4'-P energy: -63.363 tors. eta vs tors. theta energy: -32.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -370.432987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.432987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.432987 (E_RNA) where: Base-Base interactions energy: -140.910 where: short stacking energy: -106.575 Base-Backbone interact. energy: -1.612 local terms energy: -227.911134 where: bonds (distance) C4'-P energy: -80.604 bonds (distance) P-C4' energy: -68.726 flat angles C4'-P-C4' energy: -43.697 flat angles P-C4'-P energy: -49.533 tors. eta vs tors. theta energy: 14.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1799.374815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.374815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.374815 (E_RNA) where: Base-Base interactions energy: -1277.945 where: short stacking energy: -504.244 Base-Backbone interact. energy: -1.592 local terms energy: -519.838116 where: bonds (distance) C4'-P energy: -91.113 bonds (distance) P-C4' energy: -88.728 flat angles C4'-P-C4' energy: -108.550 flat angles P-C4'-P energy: -82.936 tors. eta vs tors. theta energy: -148.510 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: 2, replica: 4 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1676.050925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.050925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.050925 (E_RNA) where: Base-Base interactions energy: -1174.837 where: short stacking energy: -444.494 Base-Backbone interact. energy: -3.334 local terms energy: -497.880169 where: bonds (distance) C4'-P energy: -91.822 bonds (distance) P-C4' energy: -104.946 flat angles C4'-P-C4' energy: -104.219 flat angles P-C4'-P energy: -74.701 tors. eta vs tors. theta energy: -122.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1588.453740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.453740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.453740 (E_RNA) where: Base-Base interactions energy: -1099.879 where: short stacking energy: -440.991 Base-Backbone interact. energy: 2.162 local terms energy: -490.736816 where: bonds (distance) C4'-P energy: -97.865 bonds (distance) P-C4' energy: -95.063 flat angles C4'-P-C4' energy: -102.394 flat angles P-C4'-P energy: -78.992 tors. eta vs tors. theta energy: -116.424 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: 9 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1441.163606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.163606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.163606 (E_RNA) where: Base-Base interactions energy: -988.320 where: short stacking energy: -419.249 Base-Backbone interact. energy: -1.764 local terms energy: -451.078929 where: bonds (distance) C4'-P energy: -76.836 bonds (distance) P-C4' energy: -95.227 flat angles C4'-P-C4' energy: -103.397 flat angles P-C4'-P energy: -66.385 tors. eta vs tors. theta energy: -109.234 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: 3 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1398.077635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.077635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.077635 (E_RNA) where: Base-Base interactions energy: -951.318 where: short stacking energy: -405.170 Base-Backbone interact. energy: 4.988 local terms energy: -451.748445 where: bonds (distance) C4'-P energy: -78.699 bonds (distance) P-C4' energy: -96.535 flat angles C4'-P-C4' energy: -97.578 flat angles P-C4'-P energy: -63.942 tors. eta vs tors. theta energy: -114.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1296.890944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.890944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.890944 (E_RNA) where: Base-Base interactions energy: -877.030 where: short stacking energy: -371.829 Base-Backbone interact. energy: -1.167 local terms energy: -418.693883 where: bonds (distance) C4'-P energy: -70.806 bonds (distance) P-C4' energy: -92.000 flat angles C4'-P-C4' energy: -93.709 flat angles P-C4'-P energy: -58.345 tors. eta vs tors. theta energy: -103.835 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: 7, replica: 6 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1208.540734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.540734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.540734 (E_RNA) where: Base-Base interactions energy: -795.010 where: short stacking energy: -345.763 Base-Backbone interact. energy: -0.162 local terms energy: -413.368430 where: bonds (distance) C4'-P energy: -76.670 bonds (distance) P-C4' energy: -79.480 flat angles C4'-P-C4' energy: -104.200 flat angles P-C4'-P energy: -66.567 tors. eta vs tors. theta energy: -86.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1095.183624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.183624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.183624 (E_RNA) where: Base-Base interactions energy: -721.467 where: short stacking energy: -307.773 Base-Backbone interact. energy: -1.793 local terms energy: -371.923884 where: bonds (distance) C4'-P energy: -62.158 bonds (distance) P-C4' energy: -92.334 flat angles C4'-P-C4' energy: -91.559 flat angles P-C4'-P energy: -46.207 tors. eta vs tors. theta energy: -79.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -871.636795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.636795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.636795 (E_RNA) where: Base-Base interactions energy: -563.071 where: short stacking energy: -265.612 Base-Backbone interact. energy: -1.280 local terms energy: -307.286026 where: bonds (distance) C4'-P energy: -56.945 bonds (distance) P-C4' energy: -75.767 flat angles C4'-P-C4' energy: -70.746 flat angles P-C4'-P energy: -46.316 tors. eta vs tors. theta energy: -57.512 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: 10 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -388.779967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.779967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.779967 (E_RNA) where: Base-Base interactions energy: -133.242 where: short stacking energy: -104.713 Base-Backbone interact. energy: -1.769 local terms energy: -253.768449 where: bonds (distance) C4'-P energy: -83.458 bonds (distance) P-C4' energy: -84.203 flat angles C4'-P-C4' energy: -63.033 flat angles P-C4'-P energy: -35.072 tors. eta vs tors. theta energy: 11.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1772.926875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.926875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.926875 (E_RNA) where: Base-Base interactions energy: -1240.527 where: short stacking energy: -481.393 Base-Backbone interact. energy: -2.777 local terms energy: -529.623085 where: bonds (distance) C4'-P energy: -105.256 bonds (distance) P-C4' energy: -94.456 flat angles C4'-P-C4' energy: -106.003 flat angles P-C4'-P energy: -83.394 tors. eta vs tors. theta energy: -140.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1705.801342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.801342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.801342 (E_RNA) where: Base-Base interactions energy: -1193.457 where: short stacking energy: -474.207 Base-Backbone interact. energy: -2.441 local terms energy: -509.902720 where: bonds (distance) C4'-P energy: -92.089 bonds (distance) P-C4' energy: -98.709 flat angles C4'-P-C4' energy: -108.697 flat angles P-C4'-P energy: -68.061 tors. eta vs tors. theta energy: -142.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1585.453092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.453092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.453092 (E_RNA) where: Base-Base interactions energy: -1095.193 where: short stacking energy: -452.231 Base-Backbone interact. energy: 1.810 local terms energy: -492.069348 where: bonds (distance) C4'-P energy: -93.290 bonds (distance) P-C4' energy: -80.500 flat angles C4'-P-C4' energy: -107.256 flat angles P-C4'-P energy: -72.005 tors. eta vs tors. theta energy: -139.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1459.007619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.007619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.007619 (E_RNA) where: Base-Base interactions energy: -1013.332 where: short stacking energy: -421.922 Base-Backbone interact. energy: -0.330 local terms energy: -445.344967 where: bonds (distance) C4'-P energy: -79.943 bonds (distance) P-C4' energy: -79.784 flat angles C4'-P-C4' energy: -101.570 flat angles P-C4'-P energy: -66.891 tors. eta vs tors. theta energy: -117.157 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: 3 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1396.206640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.206640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.206640 (E_RNA) where: Base-Base interactions energy: -951.029 where: short stacking energy: -410.867 Base-Backbone interact. energy: 1.650 local terms energy: -446.827932 where: bonds (distance) C4'-P energy: -88.868 bonds (distance) P-C4' energy: -83.179 flat angles C4'-P-C4' energy: -97.436 flat angles P-C4'-P energy: -68.563 tors. eta vs tors. theta energy: -108.782 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: 5 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1323.437304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.437304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.437304 (E_RNA) where: Base-Base interactions energy: -898.920 where: short stacking energy: -377.568 Base-Backbone interact. energy: -0.293 local terms energy: -424.224596 where: bonds (distance) C4'-P energy: -73.145 bonds (distance) P-C4' energy: -90.240 flat angles C4'-P-C4' energy: -105.923 flat angles P-C4'-P energy: -50.716 tors. eta vs tors. theta energy: -104.200 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: 6 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1221.625251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.625251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.625251 (E_RNA) where: Base-Base interactions energy: -847.215 where: short stacking energy: -367.372 Base-Backbone interact. energy: -0.328 local terms energy: -374.082019 where: bonds (distance) C4'-P energy: -76.568 bonds (distance) P-C4' energy: -67.460 flat angles C4'-P-C4' energy: -85.800 flat angles P-C4'-P energy: -49.890 tors. eta vs tors. theta energy: -94.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1033.253915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.253915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.253915 (E_RNA) where: Base-Base interactions energy: -654.596 where: short stacking energy: -288.940 Base-Backbone interact. energy: 5.319 local terms energy: -383.976750 where: bonds (distance) C4'-P energy: -79.653 bonds (distance) P-C4' energy: -80.735 flat angles C4'-P-C4' energy: -80.870 flat angles P-C4'-P energy: -64.514 tors. eta vs tors. theta energy: -78.205 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: 9, replica: 7 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -909.952301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.952301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.952301 (E_RNA) where: Base-Base interactions energy: -552.892 where: short stacking energy: -250.820 Base-Backbone interact. energy: -1.823 local terms energy: -355.237057 where: bonds (distance) C4'-P energy: -73.561 bonds (distance) P-C4' energy: -95.064 flat angles C4'-P-C4' energy: -93.574 flat angles P-C4'-P energy: -42.838 tors. eta vs tors. theta energy: -50.201 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: 10 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -404.325067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.325067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.325067 (E_RNA) where: Base-Base interactions energy: -161.871 where: short stacking energy: -113.179 Base-Backbone interact. energy: -3.187 local terms energy: -239.267648 where: bonds (distance) C4'-P energy: -64.300 bonds (distance) P-C4' energy: -79.724 flat angles C4'-P-C4' energy: -61.488 flat angles P-C4'-P energy: -40.174 tors. eta vs tors. theta energy: 6.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1796.422158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.422158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.422158 (E_RNA) where: Base-Base interactions energy: -1278.220 where: short stacking energy: -484.635 Base-Backbone interact. energy: 2.375 local terms energy: -520.576893 where: bonds (distance) C4'-P energy: -99.233 bonds (distance) P-C4' energy: -87.070 flat angles C4'-P-C4' energy: -118.172 flat angles P-C4'-P energy: -73.905 tors. eta vs tors. theta energy: -142.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1673.600903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.600903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.600903 (E_RNA) where: Base-Base interactions energy: -1171.081 where: short stacking energy: -466.897 Base-Backbone interact. energy: -0.996 local terms energy: -501.523767 where: bonds (distance) C4'-P energy: -85.273 bonds (distance) P-C4' energy: -90.201 flat angles C4'-P-C4' energy: -105.634 flat angles P-C4'-P energy: -80.145 tors. eta vs tors. theta energy: -140.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1597.603495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.603495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.603495 (E_RNA) where: Base-Base interactions energy: -1090.925 where: short stacking energy: -458.696 Base-Backbone interact. energy: 1.410 local terms energy: -508.087964 where: bonds (distance) C4'-P energy: -83.197 bonds (distance) P-C4' energy: -95.293 flat angles C4'-P-C4' energy: -113.580 flat angles P-C4'-P energy: -71.274 tors. eta vs tors. theta energy: -144.743 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: 9 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1443.392401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.392401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.392401 (E_RNA) where: Base-Base interactions energy: -978.332 where: short stacking energy: -406.292 Base-Backbone interact. energy: -0.177 local terms energy: -464.883214 where: bonds (distance) C4'-P energy: -98.165 bonds (distance) P-C4' energy: -89.014 flat angles C4'-P-C4' energy: -105.573 flat angles P-C4'-P energy: -63.799 tors. eta vs tors. theta energy: -108.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1353.386744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.386744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.386744 (E_RNA) where: Base-Base interactions energy: -915.470 where: short stacking energy: -379.621 Base-Backbone interact. energy: -1.634 local terms energy: -436.282445 where: bonds (distance) C4'-P energy: -77.061 bonds (distance) P-C4' energy: -99.001 flat angles C4'-P-C4' energy: -102.131 flat angles P-C4'-P energy: -52.260 tors. eta vs tors. theta energy: -105.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1333.463600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.463600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.463600 (E_RNA) where: Base-Base interactions energy: -897.066 where: short stacking energy: -385.229 Base-Backbone interact. energy: -0.504 local terms energy: -435.894266 where: bonds (distance) C4'-P energy: -96.762 bonds (distance) P-C4' energy: -92.506 flat angles C4'-P-C4' energy: -87.880 flat angles P-C4'-P energy: -49.557 tors. eta vs tors. theta energy: -109.189 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: 6 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1245.320351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.320351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.320351 (E_RNA) where: Base-Base interactions energy: -831.721 where: short stacking energy: -342.565 Base-Backbone interact. energy: -1.681 local terms energy: -411.918909 where: bonds (distance) C4'-P energy: -82.440 bonds (distance) P-C4' energy: -91.360 flat angles C4'-P-C4' energy: -91.039 flat angles P-C4'-P energy: -58.388 tors. eta vs tors. theta energy: -88.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -999.116249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.116249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.116249 (E_RNA) where: Base-Base interactions energy: -639.567 where: short stacking energy: -272.894 Base-Backbone interact. energy: -1.343 local terms energy: -358.206251 where: bonds (distance) C4'-P energy: -76.943 bonds (distance) P-C4' energy: -91.431 flat angles C4'-P-C4' energy: -83.503 flat angles P-C4'-P energy: -53.012 tors. eta vs tors. theta energy: -53.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -993.708587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.708587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.708587 (E_RNA) where: Base-Base interactions energy: -632.849 where: short stacking energy: -282.212 Base-Backbone interact. energy: 0.026 local terms energy: -360.885295 where: bonds (distance) C4'-P energy: -80.980 bonds (distance) P-C4' energy: -69.698 flat angles C4'-P-C4' energy: -83.986 flat angles P-C4'-P energy: -56.797 tors. eta vs tors. theta energy: -69.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -386.639228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.639228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.639228 (E_RNA) where: Base-Base interactions energy: -137.351 where: short stacking energy: -102.635 Base-Backbone interact. energy: 0.060 local terms energy: -249.347838 where: bonds (distance) C4'-P energy: -75.567 bonds (distance) P-C4' energy: -89.820 flat angles C4'-P-C4' energy: -62.034 flat angles P-C4'-P energy: -37.803 tors. eta vs tors. theta energy: 15.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1784.022325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.022325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.022325 (E_RNA) where: Base-Base interactions energy: -1249.590 where: short stacking energy: -496.109 Base-Backbone interact. energy: -1.774 local terms energy: -532.658140 where: bonds (distance) C4'-P energy: -100.636 bonds (distance) P-C4' energy: -101.805 flat angles C4'-P-C4' energy: -108.679 flat angles P-C4'-P energy: -72.132 tors. eta vs tors. theta energy: -149.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1681.994674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.994674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.994674 (E_RNA) where: Base-Base interactions energy: -1176.165 where: short stacking energy: -473.114 Base-Backbone interact. energy: -1.774 local terms energy: -504.055712 where: bonds (distance) C4'-P energy: -98.967 bonds (distance) P-C4' energy: -96.541 flat angles C4'-P-C4' energy: -102.074 flat angles P-C4'-P energy: -67.468 tors. eta vs tors. theta energy: -139.006 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: 1 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1639.940146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.940146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.940146 (E_RNA) where: Base-Base interactions energy: -1125.267 where: short stacking energy: -467.490 Base-Backbone interact. energy: -0.019 local terms energy: -514.654336 where: bonds (distance) C4'-P energy: -92.882 bonds (distance) P-C4' energy: -84.311 flat angles C4'-P-C4' energy: -105.525 flat angles P-C4'-P energy: -76.160 tors. eta vs tors. theta energy: -155.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1447.265042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.265042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.265042 (E_RNA) where: Base-Base interactions energy: -984.515 where: short stacking energy: -411.534 Base-Backbone interact. energy: -0.716 local terms energy: -462.033360 where: bonds (distance) C4'-P energy: -90.040 bonds (distance) P-C4' energy: -92.385 flat angles C4'-P-C4' energy: -104.644 flat angles P-C4'-P energy: -62.318 tors. eta vs tors. theta energy: -112.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1354.356684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.356684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.356684 (E_RNA) where: Base-Base interactions energy: -928.448 where: short stacking energy: -384.168 Base-Backbone interact. energy: -0.673 local terms energy: -425.235134 where: bonds (distance) C4'-P energy: -75.186 bonds (distance) P-C4' energy: -85.244 flat angles C4'-P-C4' energy: -91.676 flat angles P-C4'-P energy: -67.393 tors. eta vs tors. theta energy: -105.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1369.598850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.598850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.598850 (E_RNA) where: Base-Base interactions energy: -939.815 where: short stacking energy: -391.665 Base-Backbone interact. energy: -0.427 local terms energy: -429.356561 where: bonds (distance) C4'-P energy: -77.358 bonds (distance) P-C4' energy: -93.175 flat angles C4'-P-C4' energy: -90.622 flat angles P-C4'-P energy: -58.649 tors. eta vs tors. theta energy: -109.553 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: 7, replica: 6 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1235.668492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.668492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.668492 (E_RNA) where: Base-Base interactions energy: -812.182 where: short stacking energy: -353.757 Base-Backbone interact. energy: -1.404 local terms energy: -422.082134 where: bonds (distance) C4'-P energy: -76.947 bonds (distance) P-C4' energy: -80.302 flat angles C4'-P-C4' energy: -95.477 flat angles P-C4'-P energy: -70.681 tors. eta vs tors. theta energy: -98.675 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: 8, replica: 2 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1002.000669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.000669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.000669 (E_RNA) where: Base-Base interactions energy: -627.799 where: short stacking energy: -284.143 Base-Backbone interact. energy: 0.128 local terms energy: -374.330259 where: bonds (distance) C4'-P energy: -74.412 bonds (distance) P-C4' energy: -84.618 flat angles C4'-P-C4' energy: -87.537 flat angles P-C4'-P energy: -48.648 tors. eta vs tors. theta energy: -79.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -983.683150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.683150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.683150 (E_RNA) where: Base-Base interactions energy: -623.908 where: short stacking energy: -280.745 Base-Backbone interact. energy: -0.221 local terms energy: -359.553474 where: bonds (distance) C4'-P energy: -90.109 bonds (distance) P-C4' energy: -69.265 flat angles C4'-P-C4' energy: -83.949 flat angles P-C4'-P energy: -46.474 tors. eta vs tors. theta energy: -69.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -383.131510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.131510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.131510 (E_RNA) where: Base-Base interactions energy: -140.291 where: short stacking energy: -126.848 Base-Backbone interact. energy: -1.902 local terms energy: -240.938688 where: bonds (distance) C4'-P energy: -75.826 bonds (distance) P-C4' energy: -90.984 flat angles C4'-P-C4' energy: -57.344 flat angles P-C4'-P energy: -26.514 tors. eta vs tors. theta energy: 9.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1799.413630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.413630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.413630 (E_RNA) where: Base-Base interactions energy: -1267.392 where: short stacking energy: -496.178 Base-Backbone interact. energy: -1.828 local terms energy: -530.193273 where: bonds (distance) C4'-P energy: -93.817 bonds (distance) P-C4' energy: -102.527 flat angles C4'-P-C4' energy: -112.104 flat angles P-C4'-P energy: -75.625 tors. eta vs tors. theta energy: -146.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1673.096218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.096218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.096218 (E_RNA) where: Base-Base interactions energy: -1167.279 where: short stacking energy: -448.511 Base-Backbone interact. energy: -1.667 local terms energy: -504.150735 where: bonds (distance) C4'-P energy: -104.243 bonds (distance) P-C4' energy: -96.283 flat angles C4'-P-C4' energy: -107.858 flat angles P-C4'-P energy: -68.329 tors. eta vs tors. theta energy: -127.436 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: 1 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1605.730701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.730701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.730701 (E_RNA) where: Base-Base interactions energy: -1106.079 where: short stacking energy: -465.335 Base-Backbone interact. energy: 1.839 local terms energy: -501.490559 where: bonds (distance) C4'-P energy: -77.448 bonds (distance) P-C4' energy: -87.046 flat angles C4'-P-C4' energy: -111.562 flat angles P-C4'-P energy: -76.788 tors. eta vs tors. theta energy: -148.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1450.735686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.735686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.735686 (E_RNA) where: Base-Base interactions energy: -990.941 where: short stacking energy: -399.591 Base-Backbone interact. energy: -1.175 local terms energy: -458.620303 where: bonds (distance) C4'-P energy: -77.724 bonds (distance) P-C4' energy: -83.762 flat angles C4'-P-C4' energy: -98.742 flat angles P-C4'-P energy: -73.203 tors. eta vs tors. theta energy: -125.190 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: 5, replica: 5 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1337.355165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.355165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.355165 (E_RNA) where: Base-Base interactions energy: -906.797 where: short stacking energy: -387.794 Base-Backbone interact. energy: 5.093 local terms energy: -435.651597 where: bonds (distance) C4'-P energy: -85.071 bonds (distance) P-C4' energy: -93.553 flat angles C4'-P-C4' energy: -98.594 flat angles P-C4'-P energy: -58.968 tors. eta vs tors. theta energy: -99.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1351.937756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.937756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.937756 (E_RNA) where: Base-Base interactions energy: -905.172 where: short stacking energy: -413.787 Base-Backbone interact. energy: -0.285 local terms energy: -446.480804 where: bonds (distance) C4'-P energy: -83.280 bonds (distance) P-C4' energy: -99.084 flat angles C4'-P-C4' energy: -98.519 flat angles P-C4'-P energy: -56.770 tors. eta vs tors. theta energy: -108.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1228.489912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.489912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.489912 (E_RNA) where: Base-Base interactions energy: -813.565 where: short stacking energy: -331.947 Base-Backbone interact. energy: 0.091 local terms energy: -415.015225 where: bonds (distance) C4'-P energy: -85.538 bonds (distance) P-C4' energy: -89.021 flat angles C4'-P-C4' energy: -85.760 flat angles P-C4'-P energy: -63.336 tors. eta vs tors. theta energy: -91.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -960.323456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.323456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.323456 (E_RNA) where: Base-Base interactions energy: -604.685 where: short stacking energy: -272.847 Base-Backbone interact. energy: 1.362 local terms energy: -357.000842 where: bonds (distance) C4'-P energy: -70.430 bonds (distance) P-C4' energy: -94.595 flat angles C4'-P-C4' energy: -79.648 flat angles P-C4'-P energy: -37.981 tors. eta vs tors. theta energy: -74.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -997.592203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.592203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.592203 (E_RNA) where: Base-Base interactions energy: -620.028 where: short stacking energy: -277.759 Base-Backbone interact. energy: -3.322 local terms energy: -374.242428 where: bonds (distance) C4'-P energy: -79.888 bonds (distance) P-C4' energy: -86.886 flat angles C4'-P-C4' energy: -98.859 flat angles P-C4'-P energy: -49.472 tors. eta vs tors. theta energy: -59.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -392.713766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.713766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.713766 (E_RNA) where: Base-Base interactions energy: -161.192 where: short stacking energy: -98.525 Base-Backbone interact. energy: -0.706 local terms energy: -230.815239 where: bonds (distance) C4'-P energy: -80.827 bonds (distance) P-C4' energy: -64.892 flat angles C4'-P-C4' energy: -53.913 flat angles P-C4'-P energy: -51.086 tors. eta vs tors. theta energy: 19.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1792.428125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.428125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.428125 (E_RNA) where: Base-Base interactions energy: -1251.593 where: short stacking energy: -488.952 Base-Backbone interact. energy: -1.864 local terms energy: -538.971804 where: bonds (distance) C4'-P energy: -98.718 bonds (distance) P-C4' energy: -90.761 flat angles C4'-P-C4' energy: -117.815 flat angles P-C4'-P energy: -81.336 tors. eta vs tors. theta energy: -150.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1663.373205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.373205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.373205 (E_RNA) where: Base-Base interactions energy: -1167.420 where: short stacking energy: -465.222 Base-Backbone interact. energy: -0.014 local terms energy: -495.939339 where: bonds (distance) C4'-P energy: -83.591 bonds (distance) P-C4' energy: -102.569 flat angles C4'-P-C4' energy: -102.527 flat angles P-C4'-P energy: -77.548 tors. eta vs tors. theta energy: -129.705 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: 1 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1654.238988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.238988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.238988 (E_RNA) where: Base-Base interactions energy: -1141.213 where: short stacking energy: -472.542 Base-Backbone interact. energy: -1.676 local terms energy: -511.350006 where: bonds (distance) C4'-P energy: -87.508 bonds (distance) P-C4' energy: -100.442 flat angles C4'-P-C4' energy: -107.636 flat angles P-C4'-P energy: -73.852 tors. eta vs tors. theta energy: -141.913 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: 9 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1469.708291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.708291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.708291 (E_RNA) where: Base-Base interactions energy: -1007.813 where: short stacking energy: -418.598 Base-Backbone interact. energy: 1.540 local terms energy: -463.435685 where: bonds (distance) C4'-P energy: -89.193 bonds (distance) P-C4' energy: -76.110 flat angles C4'-P-C4' energy: -104.347 flat angles P-C4'-P energy: -65.710 tors. eta vs tors. theta energy: -128.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1424.237456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.237456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.237456 (E_RNA) where: Base-Base interactions energy: -982.015 where: short stacking energy: -409.741 Base-Backbone interact. energy: 0.868 local terms energy: -443.090322 where: bonds (distance) C4'-P energy: -79.043 bonds (distance) P-C4' energy: -78.597 flat angles C4'-P-C4' energy: -101.349 flat angles P-C4'-P energy: -59.107 tors. eta vs tors. theta energy: -124.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1296.379971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.379971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.379971 (E_RNA) where: Base-Base interactions energy: -906.158 where: short stacking energy: -369.528 Base-Backbone interact. energy: -1.166 local terms energy: -389.055900 where: bonds (distance) C4'-P energy: -80.349 bonds (distance) P-C4' energy: -83.956 flat angles C4'-P-C4' energy: -76.522 flat angles P-C4'-P energy: -60.794 tors. eta vs tors. theta energy: -87.435 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: 6 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1256.293274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.293274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.293274 (E_RNA) where: Base-Base interactions energy: -836.182 where: short stacking energy: -354.557 Base-Backbone interact. energy: -1.260 local terms energy: -418.852069 where: bonds (distance) C4'-P energy: -83.630 bonds (distance) P-C4' energy: -91.568 flat angles C4'-P-C4' energy: -88.924 flat angles P-C4'-P energy: -60.307 tors. eta vs tors. theta energy: -94.423 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: 2 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -971.321468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.321468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.321468 (E_RNA) where: Base-Base interactions energy: -620.844 where: short stacking energy: -273.605 Base-Backbone interact. energy: 0.149 local terms energy: -350.626956 where: bonds (distance) C4'-P energy: -85.894 bonds (distance) P-C4' energy: -78.023 flat angles C4'-P-C4' energy: -79.337 flat angles P-C4'-P energy: -51.333 tors. eta vs tors. theta energy: -56.040 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: 7 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -983.261704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.261704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.261704 (E_RNA) where: Base-Base interactions energy: -632.829 where: short stacking energy: -283.773 Base-Backbone interact. energy: 3.148 local terms energy: -353.579857 where: bonds (distance) C4'-P energy: -73.951 bonds (distance) P-C4' energy: -100.118 flat angles C4'-P-C4' energy: -70.730 flat angles P-C4'-P energy: -41.476 tors. eta vs tors. theta energy: -67.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -372.876587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.876587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.876587 (E_RNA) where: Base-Base interactions energy: -109.679 where: short stacking energy: -88.902 Base-Backbone interact. energy: -1.959 local terms energy: -261.238732 where: bonds (distance) C4'-P energy: -85.677 bonds (distance) P-C4' energy: -74.880 flat angles C4'-P-C4' energy: -65.445 flat angles P-C4'-P energy: -44.050 tors. eta vs tors. theta energy: 8.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1836.851386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.851386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.851386 (E_RNA) where: Base-Base interactions energy: -1307.470 where: short stacking energy: -508.546 Base-Backbone interact. energy: -0.380 local terms energy: -529.001541 where: bonds (distance) C4'-P energy: -90.079 bonds (distance) P-C4' energy: -94.161 flat angles C4'-P-C4' energy: -109.385 flat angles P-C4'-P energy: -86.150 tors. eta vs tors. theta energy: -149.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1670.690301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.690301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.690301 (E_RNA) where: Base-Base interactions energy: -1155.114 where: short stacking energy: -451.468 Base-Backbone interact. energy: -4.105 local terms energy: -511.470614 where: bonds (distance) C4'-P energy: -95.074 bonds (distance) P-C4' energy: -102.685 flat angles C4'-P-C4' energy: -105.367 flat angles P-C4'-P energy: -75.670 tors. eta vs tors. theta energy: -132.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1605.753421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.753421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.753421 (E_RNA) where: Base-Base interactions energy: -1109.645 where: short stacking energy: -461.301 Base-Backbone interact. energy: 1.456 local terms energy: -497.564988 where: bonds (distance) C4'-P energy: -88.916 bonds (distance) P-C4' energy: -90.443 flat angles C4'-P-C4' energy: -103.932 flat angles P-C4'-P energy: -86.580 tors. eta vs tors. theta energy: -127.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1498.743711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.743711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.743711 (E_RNA) where: Base-Base interactions energy: -1014.936 where: short stacking energy: -452.361 Base-Backbone interact. energy: -0.667 local terms energy: -483.140774 where: bonds (distance) C4'-P energy: -76.958 bonds (distance) P-C4' energy: -86.196 flat angles C4'-P-C4' energy: -107.945 flat angles P-C4'-P energy: -77.948 tors. eta vs tors. theta energy: -134.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1429.695301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.695301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.695301 (E_RNA) where: Base-Base interactions energy: -967.807 where: short stacking energy: -389.457 Base-Backbone interact. energy: -1.217 local terms energy: -460.670846 where: bonds (distance) C4'-P energy: -89.992 bonds (distance) P-C4' energy: -97.598 flat angles C4'-P-C4' energy: -98.463 flat angles P-C4'-P energy: -68.496 tors. eta vs tors. theta energy: -106.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1349.205806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.205806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.205806 (E_RNA) where: Base-Base interactions energy: -900.115 where: short stacking energy: -372.202 Base-Backbone interact. energy: -0.496 local terms energy: -448.594609 where: bonds (distance) C4'-P energy: -97.901 bonds (distance) P-C4' energy: -71.849 flat angles C4'-P-C4' energy: -100.502 flat angles P-C4'-P energy: -75.704 tors. eta vs tors. theta energy: -102.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1245.317077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.317077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.317077 (E_RNA) where: Base-Base interactions energy: -850.949 where: short stacking energy: -365.085 Base-Backbone interact. energy: -1.429 local terms energy: -392.938777 where: bonds (distance) C4'-P energy: -59.602 bonds (distance) P-C4' energy: -86.319 flat angles C4'-P-C4' energy: -89.450 flat angles P-C4'-P energy: -71.344 tors. eta vs tors. theta energy: -86.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1082.254893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.254893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.254893 (E_RNA) where: Base-Base interactions energy: -715.342 where: short stacking energy: -299.026 Base-Backbone interact. energy: 0.155 local terms energy: -367.067861 where: bonds (distance) C4'-P energy: -73.355 bonds (distance) P-C4' energy: -95.212 flat angles C4'-P-C4' energy: -63.921 flat angles P-C4'-P energy: -53.946 tors. eta vs tors. theta energy: -80.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -934.503224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.503224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.503224 (E_RNA) where: Base-Base interactions energy: -596.494 where: short stacking energy: -263.433 Base-Backbone interact. energy: -1.011 local terms energy: -336.997964 where: bonds (distance) C4'-P energy: -84.342 bonds (distance) P-C4' energy: -71.181 flat angles C4'-P-C4' energy: -80.247 flat angles P-C4'-P energy: -51.858 tors. eta vs tors. theta energy: -49.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -399.745668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.745668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.745668 (E_RNA) where: Base-Base interactions energy: -136.232 where: short stacking energy: -110.880 Base-Backbone interact. energy: 1.510 local terms energy: -265.024022 where: bonds (distance) C4'-P energy: -64.880 bonds (distance) P-C4' energy: -82.091 flat angles C4'-P-C4' energy: -81.583 flat angles P-C4'-P energy: -43.509 tors. eta vs tors. theta energy: 7.040 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: 8 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1827.633817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.633817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.633817 (E_RNA) where: Base-Base interactions energy: -1284.962 where: short stacking energy: -507.577 Base-Backbone interact. energy: -0.956 local terms energy: -541.715749 where: bonds (distance) C4'-P energy: -99.916 bonds (distance) P-C4' energy: -96.102 flat angles C4'-P-C4' energy: -112.019 flat angles P-C4'-P energy: -82.345 tors. eta vs tors. theta energy: -151.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1731.461068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.461068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.461068 (E_RNA) where: Base-Base interactions energy: -1205.389 where: short stacking energy: -478.348 Base-Backbone interact. energy: -2.521 local terms energy: -523.550829 where: bonds (distance) C4'-P energy: -92.219 bonds (distance) P-C4' energy: -90.399 flat angles C4'-P-C4' energy: -108.410 flat angles P-C4'-P energy: -92.690 tors. eta vs tors. theta energy: -139.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1591.738934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.738934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.738934 (E_RNA) where: Base-Base interactions energy: -1086.751 where: short stacking energy: -447.234 Base-Backbone interact. energy: 0.337 local terms energy: -505.324864 where: bonds (distance) C4'-P energy: -85.899 bonds (distance) P-C4' energy: -103.396 flat angles C4'-P-C4' energy: -106.593 flat angles P-C4'-P energy: -71.060 tors. eta vs tors. theta energy: -138.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1538.384532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.384532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.384532 (E_RNA) where: Base-Base interactions energy: -1052.455 where: short stacking energy: -439.030 Base-Backbone interact. energy: 3.199 local terms energy: -489.128234 where: bonds (distance) C4'-P energy: -93.197 bonds (distance) P-C4' energy: -87.371 flat angles C4'-P-C4' energy: -99.180 flat angles P-C4'-P energy: -73.415 tors. eta vs tors. theta energy: -135.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1453.858149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.858149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.858149 (E_RNA) where: Base-Base interactions energy: -992.288 where: short stacking energy: -407.027 Base-Backbone interact. energy: -1.922 local terms energy: -459.648195 where: bonds (distance) C4'-P energy: -80.275 bonds (distance) P-C4' energy: -99.912 flat angles C4'-P-C4' energy: -113.270 flat angles P-C4'-P energy: -53.115 tors. eta vs tors. theta energy: -113.076 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: 5 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1299.979126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.979126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.979126 (E_RNA) where: Base-Base interactions energy: -903.186 where: short stacking energy: -365.382 Base-Backbone interact. energy: -2.055 local terms energy: -394.738194 where: bonds (distance) C4'-P energy: -80.102 bonds (distance) P-C4' energy: -80.802 flat angles C4'-P-C4' energy: -87.885 flat angles P-C4'-P energy: -42.703 tors. eta vs tors. theta energy: -103.247 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: 6 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1272.625469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.625469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.625469 (E_RNA) where: Base-Base interactions energy: -865.355 where: short stacking energy: -381.660 Base-Backbone interact. energy: 2.404 local terms energy: -409.675122 where: bonds (distance) C4'-P energy: -78.215 bonds (distance) P-C4' energy: -87.179 flat angles C4'-P-C4' energy: -95.275 flat angles P-C4'-P energy: -49.242 tors. eta vs tors. theta energy: -99.765 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: 7 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1076.989400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.989400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.989400 (E_RNA) where: Base-Base interactions energy: -713.594 where: short stacking energy: -309.216 Base-Backbone interact. energy: -0.030 local terms energy: -363.365167 where: bonds (distance) C4'-P energy: -82.235 bonds (distance) P-C4' energy: -77.247 flat angles C4'-P-C4' energy: -77.816 flat angles P-C4'-P energy: -48.537 tors. eta vs tors. theta energy: -77.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -900.987143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.987143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.987143 (E_RNA) where: Base-Base interactions energy: -552.427 where: short stacking energy: -237.832 Base-Backbone interact. energy: -1.121 local terms energy: -347.439647 where: bonds (distance) C4'-P energy: -78.460 bonds (distance) P-C4' energy: -75.582 flat angles C4'-P-C4' energy: -87.520 flat angles P-C4'-P energy: -44.428 tors. eta vs tors. theta energy: -61.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -412.384405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.384405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.384405 (E_RNA) where: Base-Base interactions energy: -164.221 where: short stacking energy: -134.946 Base-Backbone interact. energy: 2.509 local terms energy: -250.672565 where: bonds (distance) C4'-P energy: -74.432 bonds (distance) P-C4' energy: -74.559 flat angles C4'-P-C4' energy: -55.527 flat angles P-C4'-P energy: -40.027 tors. eta vs tors. theta energy: -6.128 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: 1, replica: 8 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1811.627376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.627376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.627376 (E_RNA) where: Base-Base interactions energy: -1281.190 where: short stacking energy: -502.194 Base-Backbone interact. energy: -2.907 local terms energy: -527.530044 where: bonds (distance) C4'-P energy: -88.672 bonds (distance) P-C4' energy: -104.690 flat angles C4'-P-C4' energy: -108.602 flat angles P-C4'-P energy: -76.215 tors. eta vs tors. theta energy: -149.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1701.838147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.838147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.838147 (E_RNA) where: Base-Base interactions energy: -1180.238 where: short stacking energy: -459.559 Base-Backbone interact. energy: -2.278 local terms energy: -519.321453 where: bonds (distance) C4'-P energy: -98.040 bonds (distance) P-C4' energy: -102.504 flat angles C4'-P-C4' energy: -101.865 flat angles P-C4'-P energy: -79.391 tors. eta vs tors. theta energy: -137.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1623.637100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.637100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.637100 (E_RNA) where: Base-Base interactions energy: -1119.558 where: short stacking energy: -458.633 Base-Backbone interact. energy: 2.149 local terms energy: -506.227512 where: bonds (distance) C4'-P energy: -86.451 bonds (distance) P-C4' energy: -102.213 flat angles C4'-P-C4' energy: -104.484 flat angles P-C4'-P energy: -69.952 tors. eta vs tors. theta energy: -143.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1542.704748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.704748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.704748 (E_RNA) where: Base-Base interactions energy: -1064.941 where: short stacking energy: -447.815 Base-Backbone interact. energy: 0.986 local terms energy: -478.750188 where: bonds (distance) C4'-P energy: -81.459 bonds (distance) P-C4' energy: -74.629 flat angles C4'-P-C4' energy: -104.096 flat angles P-C4'-P energy: -81.858 tors. eta vs tors. theta energy: -136.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1448.104610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.104610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.104610 (E_RNA) where: Base-Base interactions energy: -970.440 where: short stacking energy: -385.224 Base-Backbone interact. energy: -0.320 local terms energy: -477.344733 where: bonds (distance) C4'-P energy: -100.809 bonds (distance) P-C4' energy: -86.581 flat angles C4'-P-C4' energy: -102.532 flat angles P-C4'-P energy: -78.193 tors. eta vs tors. theta energy: -109.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1299.392730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.392730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.392730 (E_RNA) where: Base-Base interactions energy: -873.989 where: short stacking energy: -362.601 Base-Backbone interact. energy: -1.660 local terms energy: -423.743614 where: bonds (distance) C4'-P energy: -72.315 bonds (distance) P-C4' energy: -90.964 flat angles C4'-P-C4' energy: -90.582 flat angles P-C4'-P energy: -66.990 tors. eta vs tors. theta energy: -102.893 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: 6 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1246.662232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.662232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.662232 (E_RNA) where: Base-Base interactions energy: -838.304 where: short stacking energy: -347.388 Base-Backbone interact. energy: 0.633 local terms energy: -408.990758 where: bonds (distance) C4'-P energy: -77.053 bonds (distance) P-C4' energy: -98.412 flat angles C4'-P-C4' energy: -103.886 flat angles P-C4'-P energy: -53.961 tors. eta vs tors. theta energy: -75.678 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: 7 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1081.497231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.497231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.497231 (E_RNA) where: Base-Base interactions energy: -696.887 where: short stacking energy: -304.914 Base-Backbone interact. energy: 1.817 local terms energy: -386.427461 where: bonds (distance) C4'-P energy: -79.437 bonds (distance) P-C4' energy: -90.121 flat angles C4'-P-C4' energy: -85.290 flat angles P-C4'-P energy: -63.891 tors. eta vs tors. theta energy: -67.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -915.155363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.155363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.155363 (E_RNA) where: Base-Base interactions energy: -566.487 where: short stacking energy: -264.150 Base-Backbone interact. energy: 0.934 local terms energy: -349.602217 where: bonds (distance) C4'-P energy: -59.776 bonds (distance) P-C4' energy: -67.441 flat angles C4'-P-C4' energy: -99.974 flat angles P-C4'-P energy: -55.366 tors. eta vs tors. theta energy: -67.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -367.526086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.526086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.526086 (E_RNA) where: Base-Base interactions energy: -112.577 where: short stacking energy: -94.338 Base-Backbone interact. energy: -0.151 local terms energy: -254.797954 where: bonds (distance) C4'-P energy: -73.505 bonds (distance) P-C4' energy: -80.693 flat angles C4'-P-C4' energy: -70.952 flat angles P-C4'-P energy: -37.417 tors. eta vs tors. theta energy: 7.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1821.809089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.809089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.809089 (E_RNA) where: Base-Base interactions energy: -1282.740 where: short stacking energy: -499.177 Base-Backbone interact. energy: -1.540 local terms energy: -537.528807 where: bonds (distance) C4'-P energy: -104.774 bonds (distance) P-C4' energy: -88.085 flat angles C4'-P-C4' energy: -107.106 flat angles P-C4'-P energy: -82.719 tors. eta vs tors. theta energy: -154.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1699.540693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.540693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.540693 (E_RNA) where: Base-Base interactions energy: -1206.576 where: short stacking energy: -478.673 Base-Backbone interact. energy: 2.764 local terms energy: -495.728656 where: bonds (distance) C4'-P energy: -88.609 bonds (distance) P-C4' energy: -85.991 flat angles C4'-P-C4' energy: -111.719 flat angles P-C4'-P energy: -70.385 tors. eta vs tors. theta energy: -139.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1590.517534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.517534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.517534 (E_RNA) where: Base-Base interactions energy: -1092.789 where: short stacking energy: -452.620 Base-Backbone interact. energy: -0.134 local terms energy: -497.594793 where: bonds (distance) C4'-P energy: -91.921 bonds (distance) P-C4' energy: -79.968 flat angles C4'-P-C4' energy: -113.328 flat angles P-C4'-P energy: -67.377 tors. eta vs tors. theta energy: -145.002 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: 4, replica: 3 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1555.446698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.446698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.446698 (E_RNA) where: Base-Base interactions energy: -1053.882 where: short stacking energy: -442.461 Base-Backbone interact. energy: -0.375 local terms energy: -501.189217 where: bonds (distance) C4'-P energy: -104.475 bonds (distance) P-C4' energy: -97.729 flat angles C4'-P-C4' energy: -98.578 flat angles P-C4'-P energy: -75.269 tors. eta vs tors. theta energy: -125.137 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: 9 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1418.340605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.340605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.340605 (E_RNA) where: Base-Base interactions energy: -968.499 where: short stacking energy: -402.552 Base-Backbone interact. energy: 0.020 local terms energy: -449.861490 where: bonds (distance) C4'-P energy: -86.663 bonds (distance) P-C4' energy: -83.596 flat angles C4'-P-C4' energy: -98.762 flat angles P-C4'-P energy: -65.523 tors. eta vs tors. theta energy: -115.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1282.222787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.222787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.222787 (E_RNA) where: Base-Base interactions energy: -865.438 where: short stacking energy: -355.547 Base-Backbone interact. energy: -0.730 local terms energy: -416.054676 where: bonds (distance) C4'-P energy: -73.794 bonds (distance) P-C4' energy: -94.143 flat angles C4'-P-C4' energy: -98.952 flat angles P-C4'-P energy: -50.295 tors. eta vs tors. theta energy: -98.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1286.182574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.182574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.182574 (E_RNA) where: Base-Base interactions energy: -879.542 where: short stacking energy: -371.814 Base-Backbone interact. energy: -0.514 local terms energy: -406.126513 where: bonds (distance) C4'-P energy: -70.326 bonds (distance) P-C4' energy: -82.461 flat angles C4'-P-C4' energy: -96.669 flat angles P-C4'-P energy: -61.464 tors. eta vs tors. theta energy: -95.206 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: 7 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1060.440812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.440812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.440812 (E_RNA) where: Base-Base interactions energy: -694.906 where: short stacking energy: -305.631 Base-Backbone interact. energy: 0.490 local terms energy: -366.024461 where: bonds (distance) C4'-P energy: -75.222 bonds (distance) P-C4' energy: -77.044 flat angles C4'-P-C4' energy: -95.741 flat angles P-C4'-P energy: -35.612 tors. eta vs tors. theta energy: -82.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -840.173678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.173678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.173678 (E_RNA) where: Base-Base interactions energy: -499.931 where: short stacking energy: -233.509 Base-Backbone interact. energy: -0.210 local terms energy: -340.032854 where: bonds (distance) C4'-P energy: -82.480 bonds (distance) P-C4' energy: -91.124 flat angles C4'-P-C4' energy: -72.552 flat angles P-C4'-P energy: -50.860 tors. eta vs tors. theta energy: -43.016 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: 10 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -405.827504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.827504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.827504 (E_RNA) where: Base-Base interactions energy: -171.490 where: short stacking energy: -119.951 Base-Backbone interact. energy: -0.962 local terms energy: -233.375208 where: bonds (distance) C4'-P energy: -58.324 bonds (distance) P-C4' energy: -78.273 flat angles C4'-P-C4' energy: -63.956 flat angles P-C4'-P energy: -41.848 tors. eta vs tors. theta energy: 9.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1810.446093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.446093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.446093 (E_RNA) where: Base-Base interactions energy: -1268.055 where: short stacking energy: -507.227 Base-Backbone interact. energy: -2.120 local terms energy: -540.271410 where: bonds (distance) C4'-P energy: -101.296 bonds (distance) P-C4' energy: -94.116 flat angles C4'-P-C4' energy: -113.281 flat angles P-C4'-P energy: -81.020 tors. eta vs tors. theta energy: -150.559 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: 4 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1683.327822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.327822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.327822 (E_RNA) where: Base-Base interactions energy: -1172.408 where: short stacking energy: -472.936 Base-Backbone interact. energy: -1.191 local terms energy: -509.728475 where: bonds (distance) C4'-P energy: -88.008 bonds (distance) P-C4' energy: -93.761 flat angles C4'-P-C4' energy: -99.039 flat angles P-C4'-P energy: -79.133 tors. eta vs tors. theta energy: -149.788 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: 1 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1573.200220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.200220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.200220 (E_RNA) where: Base-Base interactions energy: -1058.945 where: short stacking energy: -439.479 Base-Backbone interact. energy: -0.984 local terms energy: -513.271106 where: bonds (distance) C4'-P energy: -95.849 bonds (distance) P-C4' energy: -93.079 flat angles C4'-P-C4' energy: -104.512 flat angles P-C4'-P energy: -75.779 tors. eta vs tors. theta energy: -144.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1530.171973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.171973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.171973 (E_RNA) where: Base-Base interactions energy: -1057.632 where: short stacking energy: -429.070 Base-Backbone interact. energy: -0.961 local terms energy: -471.578970 where: bonds (distance) C4'-P energy: -76.044 bonds (distance) P-C4' energy: -95.183 flat angles C4'-P-C4' energy: -106.723 flat angles P-C4'-P energy: -62.067 tors. eta vs tors. theta energy: -131.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1403.241540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.241540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.241540 (E_RNA) where: Base-Base interactions energy: -959.178 where: short stacking energy: -387.008 Base-Backbone interact. energy: -0.549 local terms energy: -443.514042 where: bonds (distance) C4'-P energy: -79.437 bonds (distance) P-C4' energy: -95.344 flat angles C4'-P-C4' energy: -96.505 flat angles P-C4'-P energy: -56.722 tors. eta vs tors. theta energy: -115.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1309.246196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.246196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.246196 (E_RNA) where: Base-Base interactions energy: -884.543 where: short stacking energy: -385.734 Base-Backbone interact. energy: -0.568 local terms energy: -424.135483 where: bonds (distance) C4'-P energy: -79.513 bonds (distance) P-C4' energy: -85.936 flat angles C4'-P-C4' energy: -86.647 flat angles P-C4'-P energy: -64.717 tors. eta vs tors. theta energy: -107.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1215.311108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.311108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.311108 (E_RNA) where: Base-Base interactions energy: -809.593 where: short stacking energy: -340.730 Base-Backbone interact. energy: 2.679 local terms energy: -408.396764 where: bonds (distance) C4'-P energy: -89.398 bonds (distance) P-C4' energy: -91.727 flat angles C4'-P-C4' energy: -79.725 flat angles P-C4'-P energy: -61.720 tors. eta vs tors. theta energy: -85.827 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: 7 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1012.165447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.165447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.165447 (E_RNA) where: Base-Base interactions energy: -646.247 where: short stacking energy: -289.076 Base-Backbone interact. energy: 0.408 local terms energy: -366.325804 where: bonds (distance) C4'-P energy: -72.614 bonds (distance) P-C4' energy: -85.430 flat angles C4'-P-C4' energy: -79.675 flat angles P-C4'-P energy: -66.788 tors. eta vs tors. theta energy: -61.819 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: 2 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -833.945030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.945030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.945030 (E_RNA) where: Base-Base interactions energy: -509.749 where: short stacking energy: -201.797 Base-Backbone interact. energy: -1.953 local terms energy: -322.242128 where: bonds (distance) C4'-P energy: -75.611 bonds (distance) P-C4' energy: -77.045 flat angles C4'-P-C4' energy: -81.842 flat angles P-C4'-P energy: -48.935 tors. eta vs tors. theta energy: -38.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -403.747806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.747806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.747806 (E_RNA) where: Base-Base interactions energy: -164.057 where: short stacking energy: -124.575 Base-Backbone interact. energy: -1.527 local terms energy: -238.163406 where: bonds (distance) C4'-P energy: -86.873 bonds (distance) P-C4' energy: -68.606 flat angles C4'-P-C4' energy: -42.688 flat angles P-C4'-P energy: -50.609 tors. eta vs tors. theta energy: 10.613 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: 8 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1820.284313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.284313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.284313 (E_RNA) where: Base-Base interactions energy: -1280.369 where: short stacking energy: -519.177 Base-Backbone interact. energy: 0.457 local terms energy: -540.372671 where: bonds (distance) C4'-P energy: -99.963 bonds (distance) P-C4' energy: -91.816 flat angles C4'-P-C4' energy: -109.783 flat angles P-C4'-P energy: -85.212 tors. eta vs tors. theta energy: -153.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1716.949708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.949708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.949708 (E_RNA) where: Base-Base interactions energy: -1220.561 where: short stacking energy: -475.351 Base-Backbone interact. energy: -4.350 local terms energy: -492.038392 where: bonds (distance) C4'-P energy: -82.050 bonds (distance) P-C4' energy: -96.200 flat angles C4'-P-C4' energy: -101.551 flat angles P-C4'-P energy: -68.415 tors. eta vs tors. theta energy: -143.822 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: 3 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1592.967092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.967092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.967092 (E_RNA) where: Base-Base interactions energy: -1088.434 where: short stacking energy: -453.819 Base-Backbone interact. energy: -0.587 local terms energy: -503.946397 where: bonds (distance) C4'-P energy: -92.002 bonds (distance) P-C4' energy: -84.562 flat angles C4'-P-C4' energy: -112.223 flat angles P-C4'-P energy: -72.314 tors. eta vs tors. theta energy: -142.846 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: 4, replica: 1 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1569.338915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.338915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.338915 (E_RNA) where: Base-Base interactions energy: -1079.876 where: short stacking energy: -443.183 Base-Backbone interact. energy: -1.385 local terms energy: -488.077860 where: bonds (distance) C4'-P energy: -88.334 bonds (distance) P-C4' energy: -94.833 flat angles C4'-P-C4' energy: -105.431 flat angles P-C4'-P energy: -70.935 tors. eta vs tors. theta energy: -128.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1405.723269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.723269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.723269 (E_RNA) where: Base-Base interactions energy: -975.211 where: short stacking energy: -404.572 Base-Backbone interact. energy: -1.854 local terms energy: -428.657771 where: bonds (distance) C4'-P energy: -85.932 bonds (distance) P-C4' energy: -83.966 flat angles C4'-P-C4' energy: -92.015 flat angles P-C4'-P energy: -60.276 tors. eta vs tors. theta energy: -106.470 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: 6, replica: 6 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1314.604101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.604101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.604101 (E_RNA) where: Base-Base interactions energy: -876.632 where: short stacking energy: -373.473 Base-Backbone interact. energy: 0.966 local terms energy: -438.938496 where: bonds (distance) C4'-P energy: -90.576 bonds (distance) P-C4' energy: -80.699 flat angles C4'-P-C4' energy: -95.655 flat angles P-C4'-P energy: -54.441 tors. eta vs tors. theta energy: -117.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1219.549814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.549814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.549814 (E_RNA) where: Base-Base interactions energy: -805.976 where: short stacking energy: -334.986 Base-Backbone interact. energy: -0.374 local terms energy: -413.199787 where: bonds (distance) C4'-P energy: -79.661 bonds (distance) P-C4' energy: -89.083 flat angles C4'-P-C4' energy: -97.477 flat angles P-C4'-P energy: -61.846 tors. eta vs tors. theta energy: -85.132 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: 7 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1006.930941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.930941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.930941 (E_RNA) where: Base-Base interactions energy: -655.673 where: short stacking energy: -284.732 Base-Backbone interact. energy: 4.675 local terms energy: -355.932575 where: bonds (distance) C4'-P energy: -84.141 bonds (distance) P-C4' energy: -84.510 flat angles C4'-P-C4' energy: -66.705 flat angles P-C4'-P energy: -58.391 tors. eta vs tors. theta energy: -62.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -886.119789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.119789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.119789 (E_RNA) where: Base-Base interactions energy: -567.446 where: short stacking energy: -237.072 Base-Backbone interact. energy: 1.962 local terms energy: -320.636402 where: bonds (distance) C4'-P energy: -86.149 bonds (distance) P-C4' energy: -80.547 flat angles C4'-P-C4' energy: -59.637 flat angles P-C4'-P energy: -46.239 tors. eta vs tors. theta energy: -48.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -397.311181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.311181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.311181 (E_RNA) where: Base-Base interactions energy: -150.546 where: short stacking energy: -118.725 Base-Backbone interact. energy: 3.218 local terms energy: -249.982600 where: bonds (distance) C4'-P energy: -88.613 bonds (distance) P-C4' energy: -80.015 flat angles C4'-P-C4' energy: -58.361 flat angles P-C4'-P energy: -43.115 tors. eta vs tors. theta energy: 20.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1798.955978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.955978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.955978 (E_RNA) where: Base-Base interactions energy: -1258.695 where: short stacking energy: -498.384 Base-Backbone interact. energy: -0.867 local terms energy: -539.393745 where: bonds (distance) C4'-P energy: -102.194 bonds (distance) P-C4' energy: -99.904 flat angles C4'-P-C4' energy: -102.582 flat angles P-C4'-P energy: -80.821 tors. eta vs tors. theta energy: -153.893 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: 2, replica: 4 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1726.979188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.979188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.979188 (E_RNA) where: Base-Base interactions energy: -1225.989 where: short stacking energy: -485.721 Base-Backbone interact. energy: -0.927 local terms energy: -500.063859 where: bonds (distance) C4'-P energy: -79.241 bonds (distance) P-C4' energy: -93.885 flat angles C4'-P-C4' energy: -108.827 flat angles P-C4'-P energy: -66.538 tors. eta vs tors. theta energy: -151.573 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: 3, replica: 3 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1588.619761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.619761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.619761 (E_RNA) where: Base-Base interactions energy: -1088.160 where: short stacking energy: -438.698 Base-Backbone interact. energy: 0.189 local terms energy: -500.649629 where: bonds (distance) C4'-P energy: -86.931 bonds (distance) P-C4' energy: -103.592 flat angles C4'-P-C4' energy: -99.189 flat angles P-C4'-P energy: -73.519 tors. eta vs tors. theta energy: -137.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1549.657294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.657294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.657294 (E_RNA) where: Base-Base interactions energy: -1063.191 where: short stacking energy: -441.198 Base-Backbone interact. energy: -4.273 local terms energy: -482.192618 where: bonds (distance) C4'-P energy: -79.252 bonds (distance) P-C4' energy: -102.515 flat angles C4'-P-C4' energy: -102.214 flat angles P-C4'-P energy: -68.244 tors. eta vs tors. theta energy: -129.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1421.629068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.629068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.629068 (E_RNA) where: Base-Base interactions energy: -950.816 where: short stacking energy: -399.900 Base-Backbone interact. energy: 2.510 local terms energy: -473.323246 where: bonds (distance) C4'-P energy: -83.986 bonds (distance) P-C4' energy: -100.434 flat angles C4'-P-C4' energy: -100.629 flat angles P-C4'-P energy: -67.661 tors. eta vs tors. theta energy: -120.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1283.003647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.003647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.003647 (E_RNA) where: Base-Base interactions energy: -843.084 where: short stacking energy: -354.754 Base-Backbone interact. energy: 0.622 local terms energy: -440.541195 where: bonds (distance) C4'-P energy: -86.630 bonds (distance) P-C4' energy: -94.584 flat angles C4'-P-C4' energy: -97.083 flat angles P-C4'-P energy: -68.848 tors. eta vs tors. theta energy: -93.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1162.836890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.836890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.836890 (E_RNA) where: Base-Base interactions energy: -746.072 where: short stacking energy: -315.776 Base-Backbone interact. energy: -1.458 local terms energy: -415.306483 where: bonds (distance) C4'-P energy: -86.822 bonds (distance) P-C4' energy: -85.194 flat angles C4'-P-C4' energy: -91.249 flat angles P-C4'-P energy: -68.234 tors. eta vs tors. theta energy: -83.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1010.168831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.168831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.168831 (E_RNA) where: Base-Base interactions energy: -640.901 where: short stacking energy: -259.078 Base-Backbone interact. energy: -1.295 local terms energy: -367.972581 where: bonds (distance) C4'-P energy: -80.216 bonds (distance) P-C4' energy: -80.230 flat angles C4'-P-C4' energy: -86.796 flat angles P-C4'-P energy: -58.846 tors. eta vs tors. theta energy: -61.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -929.085391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.085391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.085391 (E_RNA) where: Base-Base interactions energy: -577.035 where: short stacking energy: -242.194 Base-Backbone interact. energy: -2.992 local terms energy: -349.058735 where: bonds (distance) C4'-P energy: -72.311 bonds (distance) P-C4' energy: -79.479 flat angles C4'-P-C4' energy: -94.788 flat angles P-C4'-P energy: -47.126 tors. eta vs tors. theta energy: -55.355 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: 10, replica: 10 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -395.145686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.145686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.145686 (E_RNA) where: Base-Base interactions energy: -163.224 where: short stacking energy: -103.929 Base-Backbone interact. energy: -1.413 local terms energy: -230.508614 where: bonds (distance) C4'-P energy: -64.240 bonds (distance) P-C4' energy: -73.026 flat angles C4'-P-C4' energy: -63.835 flat angles P-C4'-P energy: -47.356 tors. eta vs tors. theta energy: 17.948 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: 8 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1803.077139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.077139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.077139 (E_RNA) where: Base-Base interactions energy: -1265.694 where: short stacking energy: -490.249 Base-Backbone interact. energy: -0.359 local terms energy: -537.024879 where: bonds (distance) C4'-P energy: -101.169 bonds (distance) P-C4' energy: -94.165 flat angles C4'-P-C4' energy: -109.695 flat angles P-C4'-P energy: -77.593 tors. eta vs tors. theta energy: -154.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1704.895639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.895639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.895639 (E_RNA) where: Base-Base interactions energy: -1190.994 where: short stacking energy: -474.522 Base-Backbone interact. energy: -1.087 local terms energy: -512.814980 where: bonds (distance) C4'-P energy: -95.622 bonds (distance) P-C4' energy: -91.668 flat angles C4'-P-C4' energy: -109.260 flat angles P-C4'-P energy: -79.720 tors. eta vs tors. theta energy: -136.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1593.633519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.633519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.633519 (E_RNA) where: Base-Base interactions energy: -1112.218 where: short stacking energy: -471.972 Base-Backbone interact. energy: -0.742 local terms energy: -480.674293 where: bonds (distance) C4'-P energy: -91.408 bonds (distance) P-C4' energy: -87.489 flat angles C4'-P-C4' energy: -94.721 flat angles P-C4'-P energy: -70.899 tors. eta vs tors. theta energy: -136.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1535.054783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.054783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.054783 (E_RNA) where: Base-Base interactions energy: -1059.342 where: short stacking energy: -431.604 Base-Backbone interact. energy: 0.671 local terms energy: -476.384477 where: bonds (distance) C4'-P energy: -104.822 bonds (distance) P-C4' energy: -80.913 flat angles C4'-P-C4' energy: -103.681 flat angles P-C4'-P energy: -55.604 tors. eta vs tors. theta energy: -131.365 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: 9 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1424.651168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.651168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.651168 (E_RNA) where: Base-Base interactions energy: -949.497 where: short stacking energy: -403.299 Base-Backbone interact. energy: -1.816 local terms energy: -473.338504 where: bonds (distance) C4'-P energy: -88.748 bonds (distance) P-C4' energy: -81.775 flat angles C4'-P-C4' energy: -105.863 flat angles P-C4'-P energy: -73.975 tors. eta vs tors. theta energy: -122.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1318.308387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.308387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.308387 (E_RNA) where: Base-Base interactions energy: -873.429 where: short stacking energy: -376.481 Base-Backbone interact. energy: 0.854 local terms energy: -445.733213 where: bonds (distance) C4'-P energy: -82.902 bonds (distance) P-C4' energy: -86.437 flat angles C4'-P-C4' energy: -99.489 flat angles P-C4'-P energy: -67.940 tors. eta vs tors. theta energy: -108.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1166.717553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.717553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.717553 (E_RNA) where: Base-Base interactions energy: -782.559 where: short stacking energy: -329.545 Base-Backbone interact. energy: 1.218 local terms energy: -385.376678 where: bonds (distance) C4'-P energy: -79.612 bonds (distance) P-C4' energy: -91.757 flat angles C4'-P-C4' energy: -78.322 flat angles P-C4'-P energy: -61.507 tors. eta vs tors. theta energy: -74.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -921.666405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.666405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.666405 (E_RNA) where: Base-Base interactions energy: -590.344 where: short stacking energy: -270.789 Base-Backbone interact. energy: 13.406 local terms energy: -344.728525 where: bonds (distance) C4'-P energy: -83.486 bonds (distance) P-C4' energy: -67.206 flat angles C4'-P-C4' energy: -82.797 flat angles P-C4'-P energy: -55.413 tors. eta vs tors. theta energy: -55.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -913.746233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.746233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.746233 (E_RNA) where: Base-Base interactions energy: -552.089 where: short stacking energy: -241.359 Base-Backbone interact. energy: -2.165 local terms energy: -359.492714 where: bonds (distance) C4'-P energy: -81.856 bonds (distance) P-C4' energy: -83.928 flat angles C4'-P-C4' energy: -84.584 flat angles P-C4'-P energy: -56.914 tors. eta vs tors. theta energy: -52.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -410.642612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.642612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.642612 (E_RNA) where: Base-Base interactions energy: -160.310 where: short stacking energy: -123.931 Base-Backbone interact. energy: 4.533 local terms energy: -254.864707 where: bonds (distance) C4'-P energy: -69.416 bonds (distance) P-C4' energy: -78.142 flat angles C4'-P-C4' energy: -67.356 flat angles P-C4'-P energy: -48.388 tors. eta vs tors. theta energy: 8.437 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: 8 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1804.679183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.679183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.679183 (E_RNA) where: Base-Base interactions energy: -1268.299 where: short stacking energy: -492.266 Base-Backbone interact. energy: -2.115 local terms energy: -534.264946 where: bonds (distance) C4'-P energy: -98.321 bonds (distance) P-C4' energy: -100.836 flat angles C4'-P-C4' energy: -105.602 flat angles P-C4'-P energy: -71.459 tors. eta vs tors. theta energy: -158.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1680.333439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.333439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.333439 (E_RNA) where: Base-Base interactions energy: -1186.745 where: short stacking energy: -480.239 Base-Backbone interact. energy: 3.232 local terms energy: -496.820171 where: bonds (distance) C4'-P energy: -89.776 bonds (distance) P-C4' energy: -92.628 flat angles C4'-P-C4' energy: -98.460 flat angles P-C4'-P energy: -71.524 tors. eta vs tors. theta energy: -144.431 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: 83 Temperature: 1.000000 Total energy: -1643.775120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.775120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.775120 (E_RNA) where: Base-Base interactions energy: -1151.731 where: short stacking energy: -464.004 Base-Backbone interact. energy: -0.379 local terms energy: -491.665620 where: bonds (distance) C4'-P energy: -91.822 bonds (distance) P-C4' energy: -90.834 flat angles C4'-P-C4' energy: -111.051 flat angles P-C4'-P energy: -70.593 tors. eta vs tors. theta energy: -127.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1538.146880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.146880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.146880 (E_RNA) where: Base-Base interactions energy: -1053.254 where: short stacking energy: -445.911 Base-Backbone interact. energy: -1.497 local terms energy: -483.396721 where: bonds (distance) C4'-P energy: -95.764 bonds (distance) P-C4' energy: -81.015 flat angles C4'-P-C4' energy: -107.117 flat angles P-C4'-P energy: -63.177 tors. eta vs tors. theta energy: -136.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1391.296417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.296417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.296417 (E_RNA) where: Base-Base interactions energy: -936.528 where: short stacking energy: -394.712 Base-Backbone interact. energy: -0.501 local terms energy: -454.267470 where: bonds (distance) C4'-P energy: -79.306 bonds (distance) P-C4' energy: -85.915 flat angles C4'-P-C4' energy: -102.158 flat angles P-C4'-P energy: -77.111 tors. eta vs tors. theta energy: -109.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1328.969614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.969614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.969614 (E_RNA) where: Base-Base interactions energy: -875.646 where: short stacking energy: -394.425 Base-Backbone interact. energy: -2.553 local terms energy: -450.770608 where: bonds (distance) C4'-P energy: -98.590 bonds (distance) P-C4' energy: -92.814 flat angles C4'-P-C4' energy: -93.403 flat angles P-C4'-P energy: -59.182 tors. eta vs tors. theta energy: -106.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1203.342129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.342129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.342129 (E_RNA) where: Base-Base interactions energy: -805.731 where: short stacking energy: -330.363 Base-Backbone interact. energy: -2.446 local terms energy: -395.165482 where: bonds (distance) C4'-P energy: -83.891 bonds (distance) P-C4' energy: -85.780 flat angles C4'-P-C4' energy: -93.626 flat angles P-C4'-P energy: -56.518 tors. eta vs tors. theta energy: -75.350 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: 2 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -984.092542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.092542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.092542 (E_RNA) where: Base-Base interactions energy: -634.836 where: short stacking energy: -259.793 Base-Backbone interact. energy: -2.895 local terms energy: -346.361671 where: bonds (distance) C4'-P energy: -83.525 bonds (distance) P-C4' energy: -89.909 flat angles C4'-P-C4' energy: -85.464 flat angles P-C4'-P energy: -44.154 tors. eta vs tors. theta energy: -43.311 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: 7 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -900.764508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.764508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.764508 (E_RNA) where: Base-Base interactions energy: -549.458 where: short stacking energy: -245.226 Base-Backbone interact. energy: 1.057 local terms energy: -352.363025 where: bonds (distance) C4'-P energy: -75.492 bonds (distance) P-C4' energy: -74.958 flat angles C4'-P-C4' energy: -88.819 flat angles P-C4'-P energy: -61.253 tors. eta vs tors. theta energy: -51.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -408.302107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.302107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.302107 (E_RNA) where: Base-Base interactions energy: -156.044 where: short stacking energy: -103.817 Base-Backbone interact. energy: 7.579 local terms energy: -259.837962 where: bonds (distance) C4'-P energy: -88.494 bonds (distance) P-C4' energy: -76.371 flat angles C4'-P-C4' energy: -54.459 flat angles P-C4'-P energy: -47.399 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: 1, replica: 8 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1812.211242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.211242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.211242 (E_RNA) where: Base-Base interactions energy: -1277.135 where: short stacking energy: -516.394 Base-Backbone interact. energy: 0.624 local terms energy: -535.699920 where: bonds (distance) C4'-P energy: -86.684 bonds (distance) P-C4' energy: -94.465 flat angles C4'-P-C4' energy: -116.336 flat angles P-C4'-P energy: -78.431 tors. eta vs tors. theta energy: -159.784 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: 4 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1700.300146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.300146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.300146 (E_RNA) where: Base-Base interactions energy: -1220.454 where: short stacking energy: -480.805 Base-Backbone interact. energy: -3.156 local terms energy: -476.690840 where: bonds (distance) C4'-P energy: -87.322 bonds (distance) P-C4' energy: -75.704 flat angles C4'-P-C4' energy: -104.767 flat angles P-C4'-P energy: -66.082 tors. eta vs tors. theta energy: -142.816 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: 1 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1637.204088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.204088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.204088 (E_RNA) where: Base-Base interactions energy: -1137.016 where: short stacking energy: -465.235 Base-Backbone interact. energy: -2.041 local terms energy: -498.146791 where: bonds (distance) C4'-P energy: -92.804 bonds (distance) P-C4' energy: -99.375 flat angles C4'-P-C4' energy: -108.661 flat angles P-C4'-P energy: -71.434 tors. eta vs tors. theta energy: -125.873 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: 4, replica: 3 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1558.193324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.193324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.193324 (E_RNA) where: Base-Base interactions energy: -1061.056 where: short stacking energy: -459.135 Base-Backbone interact. energy: 0.222 local terms energy: -497.358976 where: bonds (distance) C4'-P energy: -89.452 bonds (distance) P-C4' energy: -89.677 flat angles C4'-P-C4' energy: -101.662 flat angles P-C4'-P energy: -73.196 tors. eta vs tors. theta energy: -143.372 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: 84 Temperature: 1.100000 Total energy: -1347.940893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.940893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.940893 (E_RNA) where: Base-Base interactions energy: -908.983 where: short stacking energy: -399.673 Base-Backbone interact. energy: 0.661 local terms energy: -439.618822 where: bonds (distance) C4'-P energy: -79.545 bonds (distance) P-C4' energy: -82.106 flat angles C4'-P-C4' energy: -94.513 flat angles P-C4'-P energy: -68.254 tors. eta vs tors. theta energy: -115.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1381.173296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.173296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.173296 (E_RNA) where: Base-Base interactions energy: -918.492 where: short stacking energy: -391.420 Base-Backbone interact. energy: -1.780 local terms energy: -460.901041 where: bonds (distance) C4'-P energy: -81.254 bonds (distance) P-C4' energy: -89.291 flat angles C4'-P-C4' energy: -105.930 flat angles P-C4'-P energy: -69.392 tors. eta vs tors. theta energy: -115.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1215.578717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.578717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.578717 (E_RNA) where: Base-Base interactions energy: -821.980 where: short stacking energy: -372.227 Base-Backbone interact. energy: 4.699 local terms energy: -398.297728 where: bonds (distance) C4'-P energy: -72.370 bonds (distance) P-C4' energy: -77.591 flat angles C4'-P-C4' energy: -84.158 flat angles P-C4'-P energy: -60.432 tors. eta vs tors. theta energy: -103.748 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: 2 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1008.130528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.130528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.130528 (E_RNA) where: Base-Base interactions energy: -670.581 where: short stacking energy: -285.335 Base-Backbone interact. energy: 0.473 local terms energy: -338.023103 where: bonds (distance) C4'-P energy: -74.665 bonds (distance) P-C4' energy: -82.616 flat angles C4'-P-C4' energy: -79.769 flat angles P-C4'-P energy: -40.777 tors. eta vs tors. theta energy: -60.196 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: 7 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -925.639429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.639429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.639429 (E_RNA) where: Base-Base interactions energy: -597.126 where: short stacking energy: -255.983 Base-Backbone interact. energy: -1.487 local terms energy: -327.026270 where: bonds (distance) C4'-P energy: -76.598 bonds (distance) P-C4' energy: -68.647 flat angles C4'-P-C4' energy: -69.008 flat angles P-C4'-P energy: -57.976 tors. eta vs tors. theta energy: -54.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -405.684724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.684724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.684724 (E_RNA) where: Base-Base interactions energy: -176.489 where: short stacking energy: -136.994 Base-Backbone interact. energy: 1.452 local terms energy: -230.647733 where: bonds (distance) C4'-P energy: -70.376 bonds (distance) P-C4' energy: -85.954 flat angles C4'-P-C4' energy: -61.517 flat angles P-C4'-P energy: -25.885 tors. eta vs tors. theta energy: 13.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1816.674604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.674604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.674604 (E_RNA) where: Base-Base interactions energy: -1267.887 where: short stacking energy: -494.372 Base-Backbone interact. energy: -2.155 local terms energy: -546.633216 where: bonds (distance) C4'-P energy: -103.778 bonds (distance) P-C4' energy: -91.592 flat angles C4'-P-C4' energy: -114.131 flat angles P-C4'-P energy: -79.255 tors. eta vs tors. theta energy: -157.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1689.997975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.997975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.997975 (E_RNA) where: Base-Base interactions energy: -1172.055 where: short stacking energy: -484.918 Base-Backbone interact. energy: 1.625 local terms energy: -519.567697 where: bonds (distance) C4'-P energy: -90.100 bonds (distance) P-C4' energy: -94.680 flat angles C4'-P-C4' energy: -109.304 flat angles P-C4'-P energy: -81.431 tors. eta vs tors. theta energy: -144.053 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: 3, replica: 1 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1620.513110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.513110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.513110 (E_RNA) where: Base-Base interactions energy: -1123.451 where: short stacking energy: -451.784 Base-Backbone interact. energy: -1.095 local terms energy: -495.967088 where: bonds (distance) C4'-P energy: -93.216 bonds (distance) P-C4' energy: -93.808 flat angles C4'-P-C4' energy: -108.013 flat angles P-C4'-P energy: -68.489 tors. eta vs tors. theta energy: -132.442 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: 3 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1538.430321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.430321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.430321 (E_RNA) where: Base-Base interactions energy: -1056.141 where: short stacking energy: -429.954 Base-Backbone interact. energy: -0.365 local terms energy: -481.923904 where: bonds (distance) C4'-P energy: -86.840 bonds (distance) P-C4' energy: -88.009 flat angles C4'-P-C4' energy: -105.459 flat angles P-C4'-P energy: -66.033 tors. eta vs tors. theta energy: -135.583 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: 5, replica: 6 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1383.125068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.125068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.125068 (E_RNA) where: Base-Base interactions energy: -946.603 where: short stacking energy: -413.957 Base-Backbone interact. energy: -0.429 local terms energy: -436.093063 where: bonds (distance) C4'-P energy: -71.991 bonds (distance) P-C4' energy: -95.697 flat angles C4'-P-C4' energy: -92.938 flat angles P-C4'-P energy: -62.995 tors. eta vs tors. theta energy: -112.473 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: 9 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1367.895039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.895039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.895039 (E_RNA) where: Base-Base interactions energy: -923.866 where: short stacking energy: -387.841 Base-Backbone interact. energy: 0.215 local terms energy: -444.243437 where: bonds (distance) C4'-P energy: -87.047 bonds (distance) P-C4' energy: -79.984 flat angles C4'-P-C4' energy: -99.573 flat angles P-C4'-P energy: -64.734 tors. eta vs tors. theta energy: -112.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1274.373947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.373947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.373947 (E_RNA) where: Base-Base interactions energy: -861.698 where: short stacking energy: -376.071 Base-Backbone interact. energy: -0.260 local terms energy: -412.416079 where: bonds (distance) C4'-P energy: -73.398 bonds (distance) P-C4' energy: -74.268 flat angles C4'-P-C4' energy: -97.516 flat angles P-C4'-P energy: -65.219 tors. eta vs tors. theta energy: -102.016 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: 7 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -950.691199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.691199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.691199 (E_RNA) where: Base-Base interactions energy: -593.730 where: short stacking energy: -261.030 Base-Backbone interact. energy: -2.423 local terms energy: -354.538285 where: bonds (distance) C4'-P energy: -77.049 bonds (distance) P-C4' energy: -97.486 flat angles C4'-P-C4' energy: -85.590 flat angles P-C4'-P energy: -42.708 tors. eta vs tors. theta energy: -51.706 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: 85 Temperature: 1.300000 Total energy: -1047.009230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.009230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.009230 (E_RNA) where: Base-Base interactions energy: -683.343 where: short stacking energy: -298.722 Base-Backbone interact. energy: 1.849 local terms energy: -365.515896 where: bonds (distance) C4'-P energy: -67.123 bonds (distance) P-C4' energy: -79.024 flat angles C4'-P-C4' energy: -86.488 flat angles P-C4'-P energy: -58.018 tors. eta vs tors. theta energy: -74.863 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: 10 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -434.353253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.353253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.353253 (E_RNA) where: Base-Base interactions energy: -183.025 where: short stacking energy: -104.615 Base-Backbone interact. energy: 1.567 local terms energy: -252.895728 where: bonds (distance) C4'-P energy: -66.464 bonds (distance) P-C4' energy: -84.528 flat angles C4'-P-C4' energy: -80.843 flat angles P-C4'-P energy: -34.600 tors. eta vs tors. theta energy: 13.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1802.915170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.915170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.915170 (E_RNA) where: Base-Base interactions energy: -1276.903 where: short stacking energy: -507.383 Base-Backbone interact. energy: -0.844 local terms energy: -525.168463 where: bonds (distance) C4'-P energy: -91.584 bonds (distance) P-C4' energy: -97.589 flat angles C4'-P-C4' energy: -111.157 flat angles P-C4'-P energy: -70.330 tors. eta vs tors. theta energy: -154.508 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: 2, replica: 4 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1655.745880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.745880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.745880 (E_RNA) where: Base-Base interactions energy: -1150.069 where: short stacking energy: -466.762 Base-Backbone interact. energy: -1.416 local terms energy: -504.261270 where: bonds (distance) C4'-P energy: -95.377 bonds (distance) P-C4' energy: -91.071 flat angles C4'-P-C4' energy: -99.296 flat angles P-C4'-P energy: -75.036 tors. eta vs tors. theta energy: -143.482 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: 1 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1597.960845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.960845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.960845 (E_RNA) where: Base-Base interactions energy: -1088.130 where: short stacking energy: -441.979 Base-Backbone interact. energy: 1.920 local terms energy: -511.750533 where: bonds (distance) C4'-P energy: -99.855 bonds (distance) P-C4' energy: -88.008 flat angles C4'-P-C4' energy: -113.545 flat angles P-C4'-P energy: -79.714 tors. eta vs tors. theta energy: -130.628 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: 3 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1545.509680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.509680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.509680 (E_RNA) where: Base-Base interactions energy: -1059.915 where: short stacking energy: -452.513 Base-Backbone interact. energy: -0.953 local terms energy: -484.642177 where: bonds (distance) C4'-P energy: -85.458 bonds (distance) P-C4' energy: -93.297 flat angles C4'-P-C4' energy: -104.992 flat angles P-C4'-P energy: -66.265 tors. eta vs tors. theta energy: -134.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1419.489112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.489112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.489112 (E_RNA) where: Base-Base interactions energy: -934.102 where: short stacking energy: -393.641 Base-Backbone interact. energy: -0.544 local terms energy: -484.843532 where: bonds (distance) C4'-P energy: -86.188 bonds (distance) P-C4' energy: -100.993 flat angles C4'-P-C4' energy: -99.994 flat angles P-C4'-P energy: -75.925 tors. eta vs tors. theta energy: -121.744 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: 9 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1306.273142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.273142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.273142 (E_RNA) where: Base-Base interactions energy: -869.993 where: short stacking energy: -364.553 Base-Backbone interact. energy: 3.345 local terms energy: -439.625115 where: bonds (distance) C4'-P energy: -73.975 bonds (distance) P-C4' energy: -106.929 flat angles C4'-P-C4' energy: -79.758 flat angles P-C4'-P energy: -69.139 tors. eta vs tors. theta energy: -109.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1205.000410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.000410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.000410 (E_RNA) where: Base-Base interactions energy: -800.802 where: short stacking energy: -337.074 Base-Backbone interact. energy: 4.808 local terms energy: -409.006207 where: bonds (distance) C4'-P energy: -83.304 bonds (distance) P-C4' energy: -79.500 flat angles C4'-P-C4' energy: -88.465 flat angles P-C4'-P energy: -63.881 tors. eta vs tors. theta energy: -93.856 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: 7 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -862.896571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.896571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.896571 (E_RNA) where: Base-Base interactions energy: -536.177 where: short stacking energy: -244.159 Base-Backbone interact. energy: 4.702 local terms energy: -331.421982 where: bonds (distance) C4'-P energy: -80.420 bonds (distance) P-C4' energy: -74.113 flat angles C4'-P-C4' energy: -82.641 flat angles P-C4'-P energy: -56.353 tors. eta vs tors. theta energy: -37.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -1121.489332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.489332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.489332 (E_RNA) where: Base-Base interactions energy: -754.285 where: short stacking energy: -296.890 Base-Backbone interact. energy: -1.942 local terms energy: -365.262528 where: bonds (distance) C4'-P energy: -85.433 bonds (distance) P-C4' energy: -69.470 flat angles C4'-P-C4' energy: -93.480 flat angles P-C4'-P energy: -52.718 tors. eta vs tors. theta energy: -64.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -443.643483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.643483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.643483 (E_RNA) where: Base-Base interactions energy: -179.846 where: short stacking energy: -121.335 Base-Backbone interact. energy: -1.453 local terms energy: -262.345186 where: bonds (distance) C4'-P energy: -62.818 bonds (distance) P-C4' energy: -96.012 flat angles C4'-P-C4' energy: -62.784 flat angles P-C4'-P energy: -45.916 tors. eta vs tors. theta energy: 5.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1826.040166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.040166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.040166 (E_RNA) where: Base-Base interactions energy: -1289.875 where: short stacking energy: -528.169 Base-Backbone interact. energy: -0.944 local terms energy: -535.221091 where: bonds (distance) C4'-P energy: -92.157 bonds (distance) P-C4' energy: -85.834 flat angles C4'-P-C4' energy: -116.928 flat angles P-C4'-P energy: -78.192 tors. eta vs tors. theta energy: -162.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1701.532876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.532876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.532876 (E_RNA) where: Base-Base interactions energy: -1182.529 where: short stacking energy: -478.852 Base-Backbone interact. energy: -3.210 local terms energy: -515.793954 where: bonds (distance) C4'-P energy: -90.267 bonds (distance) P-C4' energy: -94.490 flat angles C4'-P-C4' energy: -107.650 flat angles P-C4'-P energy: -72.769 tors. eta vs tors. theta energy: -150.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1636.982890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.982890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.982890 (E_RNA) where: Base-Base interactions energy: -1131.973 where: short stacking energy: -459.385 Base-Backbone interact. energy: -0.893 local terms energy: -504.116761 where: bonds (distance) C4'-P energy: -85.510 bonds (distance) P-C4' energy: -96.641 flat angles C4'-P-C4' energy: -105.780 flat angles P-C4'-P energy: -75.121 tors. eta vs tors. theta energy: -141.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1578.209587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.209587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.209587 (E_RNA) where: Base-Base interactions energy: -1075.789 where: short stacking energy: -452.984 Base-Backbone interact. energy: -0.861 local terms energy: -501.559724 where: bonds (distance) C4'-P energy: -92.501 bonds (distance) P-C4' energy: -93.309 flat angles C4'-P-C4' energy: -103.293 flat angles P-C4'-P energy: -70.357 tors. eta vs tors. theta energy: -142.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1427.898079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.898079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.898079 (E_RNA) where: Base-Base interactions energy: -965.575 where: short stacking energy: -403.575 Base-Backbone interact. energy: -1.263 local terms energy: -461.060132 where: bonds (distance) C4'-P energy: -81.942 bonds (distance) P-C4' energy: -97.920 flat angles C4'-P-C4' energy: -99.328 flat angles P-C4'-P energy: -57.844 tors. eta vs tors. theta energy: -124.027 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: 6, replica: 5 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1259.519087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.519087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.519087 (E_RNA) where: Base-Base interactions energy: -824.727 where: short stacking energy: -360.771 Base-Backbone interact. energy: -1.148 local terms energy: -433.644367 where: bonds (distance) C4'-P energy: -83.816 bonds (distance) P-C4' energy: -81.580 flat angles C4'-P-C4' energy: -98.439 flat angles P-C4'-P energy: -68.004 tors. eta vs tors. theta energy: -101.805 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: 87 Temperature: 1.200000 Total energy: -1317.378892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.378892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.378892 (E_RNA) where: Base-Base interactions energy: -881.111 where: short stacking energy: -373.231 Base-Backbone interact. energy: -1.482 local terms energy: -434.786781 where: bonds (distance) C4'-P energy: -75.596 bonds (distance) P-C4' energy: -87.491 flat angles C4'-P-C4' energy: -103.106 flat angles P-C4'-P energy: -68.786 tors. eta vs tors. theta energy: -99.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1191.024680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.024680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.024680 (E_RNA) where: Base-Base interactions energy: -807.115 where: short stacking energy: -322.834 Base-Backbone interact. energy: 0.603 local terms energy: -384.513209 where: bonds (distance) C4'-P energy: -89.717 bonds (distance) P-C4' energy: -77.158 flat angles C4'-P-C4' energy: -90.774 flat angles P-C4'-P energy: -59.823 tors. eta vs tors. theta energy: -67.041 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: 7 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -836.228180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.228180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.228180 (E_RNA) where: Base-Base interactions energy: -509.894 where: short stacking energy: -231.979 Base-Backbone interact. energy: 4.175 local terms energy: -330.509332 where: bonds (distance) C4'-P energy: -66.691 bonds (distance) P-C4' energy: -90.996 flat angles C4'-P-C4' energy: -65.543 flat angles P-C4'-P energy: -53.667 tors. eta vs tors. theta energy: -53.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -405.983451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.983451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.983451 (E_RNA) where: Base-Base interactions energy: -154.223 where: short stacking energy: -114.497 Base-Backbone interact. energy: 3.310 local terms energy: -255.070300 where: bonds (distance) C4'-P energy: -74.111 bonds (distance) P-C4' energy: -81.993 flat angles C4'-P-C4' energy: -55.141 flat angles P-C4'-P energy: -45.296 tors. eta vs tors. theta energy: 1.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1808.628806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.628806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.628806 (E_RNA) where: Base-Base interactions energy: -1264.086 where: short stacking energy: -510.133 Base-Backbone interact. energy: -3.583 local terms energy: -540.960008 where: bonds (distance) C4'-P energy: -86.864 bonds (distance) P-C4' energy: -103.655 flat angles C4'-P-C4' energy: -111.151 flat angles P-C4'-P energy: -84.908 tors. eta vs tors. theta energy: -154.382 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: 4 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1686.121641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.121641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.121641 (E_RNA) where: Base-Base interactions energy: -1191.025 where: short stacking energy: -469.968 Base-Backbone interact. energy: -1.704 local terms energy: -493.392540 where: bonds (distance) C4'-P energy: -78.415 bonds (distance) P-C4' energy: -95.883 flat angles C4'-P-C4' energy: -113.065 flat angles P-C4'-P energy: -63.925 tors. eta vs tors. theta energy: -142.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1651.967237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.967237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.967237 (E_RNA) where: Base-Base interactions energy: -1123.963 where: short stacking energy: -466.062 Base-Backbone interact. energy: -1.504 local terms energy: -526.500368 where: bonds (distance) C4'-P energy: -89.455 bonds (distance) P-C4' energy: -97.808 flat angles C4'-P-C4' energy: -118.432 flat angles P-C4'-P energy: -73.658 tors. eta vs tors. theta energy: -147.146 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: 1 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1537.212610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.212610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.212610 (E_RNA) where: Base-Base interactions energy: -1071.000 where: short stacking energy: -437.702 Base-Backbone interact. energy: -1.866 local terms energy: -464.346003 where: bonds (distance) C4'-P energy: -88.161 bonds (distance) P-C4' energy: -88.208 flat angles C4'-P-C4' energy: -92.833 flat angles P-C4'-P energy: -61.154 tors. eta vs tors. theta energy: -133.989 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: 6 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1439.985656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.985656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.985656 (E_RNA) where: Base-Base interactions energy: -968.167 where: short stacking energy: -423.431 Base-Backbone interact. energy: -1.059 local terms energy: -470.759082 where: bonds (distance) C4'-P energy: -84.900 bonds (distance) P-C4' energy: -95.286 flat angles C4'-P-C4' energy: -98.892 flat angles P-C4'-P energy: -61.982 tors. eta vs tors. theta energy: -129.699 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: 5 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1271.309217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.309217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.309217 (E_RNA) where: Base-Base interactions energy: -865.555 where: short stacking energy: -375.437 Base-Backbone interact. energy: -2.168 local terms energy: -403.586870 where: bonds (distance) C4'-P energy: -78.365 bonds (distance) P-C4' energy: -68.845 flat angles C4'-P-C4' energy: -98.643 flat angles P-C4'-P energy: -53.577 tors. eta vs tors. theta energy: -104.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1307.997990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.997990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.997990 (E_RNA) where: Base-Base interactions energy: -892.933 where: short stacking energy: -348.684 Base-Backbone interact. energy: 5.123 local terms energy: -420.188466 where: bonds (distance) C4'-P energy: -88.852 bonds (distance) P-C4' energy: -83.782 flat angles C4'-P-C4' energy: -92.940 flat angles P-C4'-P energy: -43.245 tors. eta vs tors. theta energy: -111.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1181.950105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.950105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.950105 (E_RNA) where: Base-Base interactions energy: -817.257 where: short stacking energy: -327.210 Base-Backbone interact. energy: 0.115 local terms energy: -364.808369 where: bonds (distance) C4'-P energy: -81.743 bonds (distance) P-C4' energy: -91.029 flat angles C4'-P-C4' energy: -69.074 flat angles P-C4'-P energy: -51.005 tors. eta vs tors. theta energy: -71.958 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: 88 Temperature: 1.300000 Total energy: -834.770708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.770708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.770708 (E_RNA) where: Base-Base interactions energy: -497.688 where: short stacking energy: -214.757 Base-Backbone interact. energy: -2.137 local terms energy: -334.945177 where: bonds (distance) C4'-P energy: -82.725 bonds (distance) P-C4' energy: -91.090 flat angles C4'-P-C4' energy: -69.425 flat angles P-C4'-P energy: -52.092 tors. eta vs tors. theta energy: -39.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -418.770272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.770272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.770272 (E_RNA) where: Base-Base interactions energy: -155.901 where: short stacking energy: -106.005 Base-Backbone interact. energy: 3.826 local terms energy: -266.694704 where: bonds (distance) C4'-P energy: -67.388 bonds (distance) P-C4' energy: -74.296 flat angles C4'-P-C4' energy: -85.458 flat angles P-C4'-P energy: -40.165 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: 8 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1802.656624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.656624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.656624 (E_RNA) where: Base-Base interactions energy: -1270.014 where: short stacking energy: -507.908 Base-Backbone interact. energy: 0.201 local terms energy: -532.844312 where: bonds (distance) C4'-P energy: -98.784 bonds (distance) P-C4' energy: -92.020 flat angles C4'-P-C4' energy: -106.800 flat angles P-C4'-P energy: -82.526 tors. eta vs tors. theta energy: -152.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1705.801618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.801618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.801618 (E_RNA) where: Base-Base interactions energy: -1201.729 where: short stacking energy: -485.068 Base-Backbone interact. energy: -1.589 local terms energy: -502.483345 where: bonds (distance) C4'-P energy: -94.383 bonds (distance) P-C4' energy: -90.241 flat angles C4'-P-C4' energy: -102.784 flat angles P-C4'-P energy: -73.348 tors. eta vs tors. theta energy: -141.727 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: 89 Temperature: 1.000000 Total energy: -1641.250575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.250575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.250575 (E_RNA) where: Base-Base interactions energy: -1125.494 where: short stacking energy: -461.665 Base-Backbone interact. energy: 1.518 local terms energy: -517.274110 where: bonds (distance) C4'-P energy: -87.685 bonds (distance) P-C4' energy: -99.400 flat angles C4'-P-C4' energy: -111.833 flat angles P-C4'-P energy: -80.764 tors. eta vs tors. theta energy: -137.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1575.361679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.361679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.361679 (E_RNA) where: Base-Base interactions energy: -1083.002 where: short stacking energy: -445.233 Base-Backbone interact. energy: -1.830 local terms energy: -490.529480 where: bonds (distance) C4'-P energy: -100.622 bonds (distance) P-C4' energy: -98.449 flat angles C4'-P-C4' energy: -106.478 flat angles P-C4'-P energy: -55.002 tors. eta vs tors. theta energy: -129.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1427.447957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.447957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.447957 (E_RNA) where: Base-Base interactions energy: -973.651 where: short stacking energy: -412.223 Base-Backbone interact. energy: 1.033 local terms energy: -454.830191 where: bonds (distance) C4'-P energy: -95.257 bonds (distance) P-C4' energy: -77.462 flat angles C4'-P-C4' energy: -98.384 flat angles P-C4'-P energy: -67.655 tors. eta vs tors. theta energy: -116.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1223.461965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.461965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.461965 (E_RNA) where: Base-Base interactions energy: -800.844 where: short stacking energy: -364.967 Base-Backbone interact. energy: -0.775 local terms energy: -421.842355 where: bonds (distance) C4'-P energy: -79.629 bonds (distance) P-C4' energy: -82.586 flat angles C4'-P-C4' energy: -94.635 flat angles P-C4'-P energy: -66.606 tors. eta vs tors. theta energy: -98.386 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: 7, replica: 9 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1250.571158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.571158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.571158 (E_RNA) where: Base-Base interactions energy: -835.418 where: short stacking energy: -361.410 Base-Backbone interact. energy: 1.680 local terms energy: -416.833475 where: bonds (distance) C4'-P energy: -79.396 bonds (distance) P-C4' energy: -83.773 flat angles C4'-P-C4' energy: -94.917 flat angles P-C4'-P energy: -56.993 tors. eta vs tors. theta energy: -101.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1199.522622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.522622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.522622 (E_RNA) where: Base-Base interactions energy: -785.838 where: short stacking energy: -329.688 Base-Backbone interact. energy: -2.146 local terms energy: -411.538651 where: bonds (distance) C4'-P energy: -87.610 bonds (distance) P-C4' energy: -92.383 flat angles C4'-P-C4' energy: -85.726 flat angles P-C4'-P energy: -50.279 tors. eta vs tors. theta energy: -95.541 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: 9, replica: 7 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -900.321367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.321367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.321367 (E_RNA) where: Base-Base interactions energy: -558.251 where: short stacking energy: -243.783 Base-Backbone interact. energy: -0.670 local terms energy: -341.399694 where: bonds (distance) C4'-P energy: -84.053 bonds (distance) P-C4' energy: -83.602 flat angles C4'-P-C4' energy: -74.623 flat angles P-C4'-P energy: -50.314 tors. eta vs tors. theta energy: -48.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -370.845100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.845100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.845100 (E_RNA) where: Base-Base interactions energy: -143.565 where: short stacking energy: -99.416 Base-Backbone interact. energy: 3.516 local terms energy: -230.796733 where: bonds (distance) C4'-P energy: -83.141 bonds (distance) P-C4' energy: -83.178 flat angles C4'-P-C4' energy: -70.543 flat angles P-C4'-P energy: -28.250 tors. eta vs tors. theta energy: 34.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1819.597218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.597218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.597218 (E_RNA) where: Base-Base interactions energy: -1271.983 where: short stacking energy: -507.135 Base-Backbone interact. energy: -1.553 local terms energy: -546.060663 where: bonds (distance) C4'-P energy: -88.874 bonds (distance) P-C4' energy: -107.975 flat angles C4'-P-C4' energy: -111.361 flat angles P-C4'-P energy: -80.452 tors. eta vs tors. theta energy: -157.399 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: 4 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1671.133229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.133229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.133229 (E_RNA) where: Base-Base interactions energy: -1157.276 where: short stacking energy: -462.088 Base-Backbone interact. energy: -1.376 local terms energy: -512.480484 where: bonds (distance) C4'-P energy: -89.021 bonds (distance) P-C4' energy: -100.059 flat angles C4'-P-C4' energy: -105.238 flat angles P-C4'-P energy: -77.099 tors. eta vs tors. theta energy: -141.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1655.176210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.176210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.176210 (E_RNA) where: Base-Base interactions energy: -1134.432 where: short stacking energy: -477.013 Base-Backbone interact. energy: -0.532 local terms energy: -520.212475 where: bonds (distance) C4'-P energy: -91.073 bonds (distance) P-C4' energy: -93.549 flat angles C4'-P-C4' energy: -105.715 flat angles P-C4'-P energy: -80.766 tors. eta vs tors. theta energy: -149.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1535.055614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.055614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.055614 (E_RNA) where: Base-Base interactions energy: -1032.582 where: short stacking energy: -447.649 Base-Backbone interact. energy: -1.276 local terms energy: -501.197843 where: bonds (distance) C4'-P energy: -82.172 bonds (distance) P-C4' energy: -102.222 flat angles C4'-P-C4' energy: -108.975 flat angles P-C4'-P energy: -76.996 tors. eta vs tors. theta energy: -130.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1408.787437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.787437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.787437 (E_RNA) where: Base-Base interactions energy: -975.012 where: short stacking energy: -402.486 Base-Backbone interact. energy: -0.344 local terms energy: -433.431382 where: bonds (distance) C4'-P energy: -91.426 bonds (distance) P-C4' energy: -83.089 flat angles C4'-P-C4' energy: -87.612 flat angles P-C4'-P energy: -55.308 tors. eta vs tors. theta energy: -115.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1270.970452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.970452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.970452 (E_RNA) where: Base-Base interactions energy: -857.384 where: short stacking energy: -361.053 Base-Backbone interact. energy: -2.542 local terms energy: -411.044700 where: bonds (distance) C4'-P energy: -84.162 bonds (distance) P-C4' energy: -75.961 flat angles C4'-P-C4' energy: -97.733 flat angles P-C4'-P energy: -63.944 tors. eta vs tors. theta energy: -89.244 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: 9 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1280.787354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.787354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.787354 (E_RNA) where: Base-Base interactions energy: -872.937 where: short stacking energy: -369.881 Base-Backbone interact. energy: -2.543 local terms energy: -405.307256 where: bonds (distance) C4'-P energy: -78.839 bonds (distance) P-C4' energy: -72.238 flat angles C4'-P-C4' energy: -97.696 flat angles P-C4'-P energy: -60.095 tors. eta vs tors. theta energy: -96.439 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: 2 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1219.924837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.924837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.924837 (E_RNA) where: Base-Base interactions energy: -809.430 where: short stacking energy: -322.066 Base-Backbone interact. energy: 3.099 local terms energy: -413.594785 where: bonds (distance) C4'-P energy: -80.605 bonds (distance) P-C4' energy: -88.665 flat angles C4'-P-C4' energy: -101.570 flat angles P-C4'-P energy: -55.767 tors. eta vs tors. theta energy: -86.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -793.739738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.739738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.739738 (E_RNA) where: Base-Base interactions energy: -475.669 where: short stacking energy: -223.855 Base-Backbone interact. energy: 0.858 local terms energy: -318.928099 where: bonds (distance) C4'-P energy: -66.821 bonds (distance) P-C4' energy: -85.582 flat angles C4'-P-C4' energy: -77.067 flat angles P-C4'-P energy: -57.753 tors. eta vs tors. theta energy: -31.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -398.232948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.232948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.232948 (E_RNA) where: Base-Base interactions energy: -150.102 where: short stacking energy: -93.421 Base-Backbone interact. energy: 8.019 local terms energy: -256.150198 where: bonds (distance) C4'-P energy: -82.917 bonds (distance) P-C4' energy: -84.986 flat angles C4'-P-C4' energy: -63.222 flat angles P-C4'-P energy: -41.328 tors. eta vs tors. theta energy: 16.302 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: 8 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1804.478865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.478865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.478865 (E_RNA) where: Base-Base interactions energy: -1279.810 where: short stacking energy: -507.854 Base-Backbone interact. energy: -2.765 local terms energy: -521.903535 where: bonds (distance) C4'-P energy: -86.190 bonds (distance) P-C4' energy: -90.361 flat angles C4'-P-C4' energy: -121.765 flat angles P-C4'-P energy: -73.795 tors. eta vs tors. theta energy: -149.792 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: 4 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1729.039813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.039813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.039813 (E_RNA) where: Base-Base interactions energy: -1186.991 where: short stacking energy: -476.699 Base-Backbone interact. energy: -1.130 local terms energy: -540.918654 where: bonds (distance) C4'-P energy: -102.402 bonds (distance) P-C4' energy: -98.691 flat angles C4'-P-C4' energy: -111.225 flat angles P-C4'-P energy: -76.419 tors. eta vs tors. theta energy: -152.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1657.134227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.134227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.134227 (E_RNA) where: Base-Base interactions energy: -1145.996 where: short stacking energy: -462.671 Base-Backbone interact. energy: 0.230 local terms energy: -511.367319 where: bonds (distance) C4'-P energy: -95.729 bonds (distance) P-C4' energy: -98.460 flat angles C4'-P-C4' energy: -96.092 flat angles P-C4'-P energy: -84.720 tors. eta vs tors. theta energy: -136.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1539.047493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.047493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.047493 (E_RNA) where: Base-Base interactions energy: -1056.052 where: short stacking energy: -447.549 Base-Backbone interact. energy: -0.753 local terms energy: -482.241939 where: bonds (distance) C4'-P energy: -96.229 bonds (distance) P-C4' energy: -82.367 flat angles C4'-P-C4' energy: -107.041 flat angles P-C4'-P energy: -74.712 tors. eta vs tors. theta energy: -121.893 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: 91 Temperature: 1.100000 Total energy: -1413.362447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.362447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.362447 (E_RNA) where: Base-Base interactions energy: -970.611 where: short stacking energy: -409.221 Base-Backbone interact. energy: -3.204 local terms energy: -439.547530 where: bonds (distance) C4'-P energy: -85.151 bonds (distance) P-C4' energy: -91.958 flat angles C4'-P-C4' energy: -95.380 flat angles P-C4'-P energy: -52.391 tors. eta vs tors. theta energy: -114.667 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: 6, replica: 9 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1292.130751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.130751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.130751 (E_RNA) where: Base-Base interactions energy: -890.194 where: short stacking energy: -367.458 Base-Backbone interact. energy: -2.574 local terms energy: -399.362771 where: bonds (distance) C4'-P energy: -64.996 bonds (distance) P-C4' energy: -85.883 flat angles C4'-P-C4' energy: -92.182 flat angles P-C4'-P energy: -51.372 tors. eta vs tors. theta energy: -104.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1231.697259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.697259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.697259 (E_RNA) where: Base-Base interactions energy: -818.000 where: short stacking energy: -321.684 Base-Backbone interact. energy: -2.737 local terms energy: -410.960107 where: bonds (distance) C4'-P energy: -81.290 bonds (distance) P-C4' energy: -92.308 flat angles C4'-P-C4' energy: -88.176 flat angles P-C4'-P energy: -63.966 tors. eta vs tors. theta energy: -85.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1198.002770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.002770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.002770 (E_RNA) where: Base-Base interactions energy: -812.064 where: short stacking energy: -334.017 Base-Backbone interact. energy: -3.230 local terms energy: -382.708758 where: bonds (distance) C4'-P energy: -78.994 bonds (distance) P-C4' energy: -69.188 flat angles C4'-P-C4' energy: -89.380 flat angles P-C4'-P energy: -51.708 tors. eta vs tors. theta energy: -93.439 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: 7 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -826.538765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.538765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.538765 (E_RNA) where: Base-Base interactions energy: -515.586 where: short stacking energy: -230.466 Base-Backbone interact. energy: -0.129 local terms energy: -310.823623 where: bonds (distance) C4'-P energy: -70.587 bonds (distance) P-C4' energy: -79.160 flat angles C4'-P-C4' energy: -67.705 flat angles P-C4'-P energy: -46.236 tors. eta vs tors. theta energy: -47.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -386.836032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.836032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.836032 (E_RNA) where: Base-Base interactions energy: -145.460 where: short stacking energy: -101.939 Base-Backbone interact. energy: -2.093 local terms energy: -239.283339 where: bonds (distance) C4'-P energy: -75.062 bonds (distance) P-C4' energy: -68.161 flat angles C4'-P-C4' energy: -81.419 flat angles P-C4'-P energy: -40.581 tors. eta vs tors. theta energy: 25.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1795.967524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.967524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.967524 (E_RNA) where: Base-Base interactions energy: -1266.973 where: short stacking energy: -513.071 Base-Backbone interact. energy: 0.702 local terms energy: -529.697372 where: bonds (distance) C4'-P energy: -86.958 bonds (distance) P-C4' energy: -85.379 flat angles C4'-P-C4' energy: -117.154 flat angles P-C4'-P energy: -77.957 tors. eta vs tors. theta energy: -162.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1700.116785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.116785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.116785 (E_RNA) where: Base-Base interactions energy: -1170.313 where: short stacking energy: -488.625 Base-Backbone interact. energy: -2.817 local terms energy: -526.987681 where: bonds (distance) C4'-P energy: -95.965 bonds (distance) P-C4' energy: -97.458 flat angles C4'-P-C4' energy: -113.211 flat angles P-C4'-P energy: -71.129 tors. eta vs tors. theta energy: -149.226 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: 3 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1671.790312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.790312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.790312 (E_RNA) where: Base-Base interactions energy: -1172.539 where: short stacking energy: -488.579 Base-Backbone interact. energy: -0.144 local terms energy: -499.107806 where: bonds (distance) C4'-P energy: -74.402 bonds (distance) P-C4' energy: -103.298 flat angles C4'-P-C4' energy: -101.277 flat angles P-C4'-P energy: -71.611 tors. eta vs tors. theta energy: -148.520 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: 92 Temperature: 1.050000 Total energy: -1545.823923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.823923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.823923 (E_RNA) where: Base-Base interactions energy: -1073.610 where: short stacking energy: -449.323 Base-Backbone interact. energy: -0.773 local terms energy: -471.441650 where: bonds (distance) C4'-P energy: -82.927 bonds (distance) P-C4' energy: -82.294 flat angles C4'-P-C4' energy: -100.824 flat angles P-C4'-P energy: -68.020 tors. eta vs tors. theta energy: -137.377 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: 6 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1434.783555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.783555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.783555 (E_RNA) where: Base-Base interactions energy: -998.100 where: short stacking energy: -410.443 Base-Backbone interact. energy: 5.663 local terms energy: -442.346909 where: bonds (distance) C4'-P energy: -85.532 bonds (distance) P-C4' energy: -82.198 flat angles C4'-P-C4' energy: -85.201 flat angles P-C4'-P energy: -67.447 tors. eta vs tors. theta energy: -121.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1294.679979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.679979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.679979 (E_RNA) where: Base-Base interactions energy: -886.838 where: short stacking energy: -380.747 Base-Backbone interact. energy: -0.636 local terms energy: -407.205287 where: bonds (distance) C4'-P energy: -70.054 bonds (distance) P-C4' energy: -75.228 flat angles C4'-P-C4' energy: -103.982 flat angles P-C4'-P energy: -55.855 tors. eta vs tors. theta energy: -102.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1245.590676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.590676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.590676 (E_RNA) where: Base-Base interactions energy: -836.695 where: short stacking energy: -354.370 Base-Backbone interact. energy: -1.895 local terms energy: -407.000173 where: bonds (distance) C4'-P energy: -79.820 bonds (distance) P-C4' energy: -79.794 flat angles C4'-P-C4' energy: -100.707 flat angles P-C4'-P energy: -47.741 tors. eta vs tors. theta energy: -98.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1204.588111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.588111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.588111 (E_RNA) where: Base-Base interactions energy: -798.366 where: short stacking energy: -329.475 Base-Backbone interact. energy: -2.347 local terms energy: -403.875447 where: bonds (distance) C4'-P energy: -86.869 bonds (distance) P-C4' energy: -89.890 flat angles C4'-P-C4' energy: -92.904 flat angles P-C4'-P energy: -61.421 tors. eta vs tors. theta energy: -72.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -795.282833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.282833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.282833 (E_RNA) where: Base-Base interactions energy: -453.726 where: short stacking energy: -189.395 Base-Backbone interact. energy: -0.071 local terms energy: -341.486558 where: bonds (distance) C4'-P energy: -94.425 bonds (distance) P-C4' energy: -81.451 flat angles C4'-P-C4' energy: -80.310 flat angles P-C4'-P energy: -44.717 tors. eta vs tors. theta energy: -40.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -388.180015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.180015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.180015 (E_RNA) where: Base-Base interactions energy: -141.320 where: short stacking energy: -103.768 Base-Backbone interact. energy: 1.792 local terms energy: -248.651843 where: bonds (distance) C4'-P energy: -78.072 bonds (distance) P-C4' energy: -90.147 flat angles C4'-P-C4' energy: -59.473 flat angles P-C4'-P energy: -38.935 tors. eta vs tors. theta energy: 17.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1821.426418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.426418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.426418 (E_RNA) where: Base-Base interactions energy: -1279.918 where: short stacking energy: -519.720 Base-Backbone interact. energy: -4.062 local terms energy: -537.446460 where: bonds (distance) C4'-P energy: -97.612 bonds (distance) P-C4' energy: -93.173 flat angles C4'-P-C4' energy: -111.881 flat angles P-C4'-P energy: -78.759 tors. eta vs tors. theta energy: -156.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1670.026888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.026888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.026888 (E_RNA) where: Base-Base interactions energy: -1169.667 where: short stacking energy: -469.565 Base-Backbone interact. energy: 1.266 local terms energy: -501.626347 where: bonds (distance) C4'-P energy: -83.884 bonds (distance) P-C4' energy: -90.573 flat angles C4'-P-C4' energy: -114.791 flat angles P-C4'-P energy: -72.523 tors. eta vs tors. theta energy: -139.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1664.909788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.909788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.909788 (E_RNA) where: Base-Base interactions energy: -1151.608 where: short stacking energy: -461.556 Base-Backbone interact. energy: -0.837 local terms energy: -512.465551 where: bonds (distance) C4'-P energy: -82.492 bonds (distance) P-C4' energy: -95.808 flat angles C4'-P-C4' energy: -109.028 flat angles P-C4'-P energy: -84.866 tors. eta vs tors. theta energy: -140.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1619.568827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.568827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.568827 (E_RNA) where: Base-Base interactions energy: -1116.769 where: short stacking energy: -462.845 Base-Backbone interact. energy: -1.159 local terms energy: -501.640273 where: bonds (distance) C4'-P energy: -81.742 bonds (distance) P-C4' energy: -99.025 flat angles C4'-P-C4' energy: -108.847 flat angles P-C4'-P energy: -69.828 tors. eta vs tors. theta energy: -142.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1448.325708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.325708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.325708 (E_RNA) where: Base-Base interactions energy: -973.688 where: short stacking energy: -416.807 Base-Backbone interact. energy: -3.158 local terms energy: -471.479134 where: bonds (distance) C4'-P energy: -86.792 bonds (distance) P-C4' energy: -91.406 flat angles C4'-P-C4' energy: -101.752 flat angles P-C4'-P energy: -63.049 tors. eta vs tors. theta energy: -128.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1294.724683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.724683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.724683 (E_RNA) where: Base-Base interactions energy: -875.800 where: short stacking energy: -380.992 Base-Backbone interact. energy: 0.259 local terms energy: -419.183822 where: bonds (distance) C4'-P energy: -72.037 bonds (distance) P-C4' energy: -85.695 flat angles C4'-P-C4' energy: -93.154 flat angles P-C4'-P energy: -64.604 tors. eta vs tors. theta energy: -103.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1229.820721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.820721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.820721 (E_RNA) where: Base-Base interactions energy: -825.012 where: short stacking energy: -352.940 Base-Backbone interact. energy: -1.092 local terms energy: -403.717261 where: bonds (distance) C4'-P energy: -85.478 bonds (distance) P-C4' energy: -80.134 flat angles C4'-P-C4' energy: -96.332 flat angles P-C4'-P energy: -50.857 tors. eta vs tors. theta energy: -90.916 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: 5 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1213.429547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.429547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.429547 (E_RNA) where: Base-Base interactions energy: -847.532 where: short stacking energy: -337.121 Base-Backbone interact. energy: -0.011 local terms energy: -365.886335 where: bonds (distance) C4'-P energy: -72.243 bonds (distance) P-C4' energy: -65.532 flat angles C4'-P-C4' energy: -82.241 flat angles P-C4'-P energy: -58.098 tors. eta vs tors. theta energy: -87.772 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: 9, replica: 7 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -803.218523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.218523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.218523 (E_RNA) where: Base-Base interactions energy: -486.005 where: short stacking energy: -220.204 Base-Backbone interact. energy: 1.321 local terms energy: -318.534329 where: bonds (distance) C4'-P energy: -75.236 bonds (distance) P-C4' energy: -90.255 flat angles C4'-P-C4' energy: -69.023 flat angles P-C4'-P energy: -57.413 tors. eta vs tors. theta energy: -26.606 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: 10, replica: 10 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -384.133825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.133825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.133825 (E_RNA) where: Base-Base interactions energy: -104.762 where: short stacking energy: -95.117 Base-Backbone interact. energy: 1.497 local terms energy: -280.869004 where: bonds (distance) C4'-P energy: -78.146 bonds (distance) P-C4' energy: -89.009 flat angles C4'-P-C4' energy: -85.234 flat angles P-C4'-P energy: -44.447 tors. eta vs tors. theta energy: 15.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1828.203215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.203215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.203215 (E_RNA) where: Base-Base interactions energy: -1289.027 where: short stacking energy: -514.955 Base-Backbone interact. energy: -1.856 local terms energy: -537.320898 where: bonds (distance) C4'-P energy: -95.110 bonds (distance) P-C4' energy: -90.219 flat angles C4'-P-C4' energy: -105.209 flat angles P-C4'-P energy: -83.515 tors. eta vs tors. theta energy: -163.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1695.082690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.082690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.082690 (E_RNA) where: Base-Base interactions energy: -1186.673 where: short stacking energy: -474.823 Base-Backbone interact. energy: -2.352 local terms energy: -506.057865 where: bonds (distance) C4'-P energy: -92.694 bonds (distance) P-C4' energy: -95.962 flat angles C4'-P-C4' energy: -98.603 flat angles P-C4'-P energy: -81.125 tors. eta vs tors. theta energy: -137.674 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: 3, replica: 3 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1658.378614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.378614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.378614 (E_RNA) where: Base-Base interactions energy: -1146.174 where: short stacking energy: -471.722 Base-Backbone interact. energy: -1.018 local terms energy: -511.187004 where: bonds (distance) C4'-P energy: -98.650 bonds (distance) P-C4' energy: -94.803 flat angles C4'-P-C4' energy: -109.060 flat angles P-C4'-P energy: -70.121 tors. eta vs tors. theta energy: -138.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1577.636224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.636224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.636224 (E_RNA) where: Base-Base interactions energy: -1075.644 where: short stacking energy: -457.211 Base-Backbone interact. energy: 0.133 local terms energy: -502.125166 where: bonds (distance) C4'-P energy: -90.785 bonds (distance) P-C4' energy: -88.186 flat angles C4'-P-C4' energy: -111.459 flat angles P-C4'-P energy: -75.088 tors. eta vs tors. theta energy: -136.607 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: 6 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1413.294066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.294066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.294066 (E_RNA) where: Base-Base interactions energy: -972.442 where: short stacking energy: -428.669 Base-Backbone interact. energy: -1.205 local terms energy: -439.647515 where: bonds (distance) C4'-P energy: -82.969 bonds (distance) P-C4' energy: -85.663 flat angles C4'-P-C4' energy: -91.022 flat angles P-C4'-P energy: -55.659 tors. eta vs tors. theta energy: -124.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1254.631931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.631931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.631931 (E_RNA) where: Base-Base interactions energy: -842.050 where: short stacking energy: -345.571 Base-Backbone interact. energy: -3.438 local terms energy: -409.143928 where: bonds (distance) C4'-P energy: -84.329 bonds (distance) P-C4' energy: -82.623 flat angles C4'-P-C4' energy: -83.400 flat angles P-C4'-P energy: -59.435 tors. eta vs tors. theta energy: -99.357 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: 5 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1254.781318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.781318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.781318 (E_RNA) where: Base-Base interactions energy: -841.734 where: short stacking energy: -364.634 Base-Backbone interact. energy: -1.087 local terms energy: -411.961044 where: bonds (distance) C4'-P energy: -71.184 bonds (distance) P-C4' energy: -89.853 flat angles C4'-P-C4' energy: -96.996 flat angles P-C4'-P energy: -60.101 tors. eta vs tors. theta energy: -93.827 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: 2 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1227.829768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.829768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.829768 (E_RNA) where: Base-Base interactions energy: -842.897 where: short stacking energy: -346.324 Base-Backbone interact. energy: -1.414 local terms energy: -383.517945 where: bonds (distance) C4'-P energy: -73.265 bonds (distance) P-C4' energy: -76.368 flat angles C4'-P-C4' energy: -78.463 flat angles P-C4'-P energy: -64.617 tors. eta vs tors. theta energy: -90.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -846.343133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.343133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.343133 (E_RNA) where: Base-Base interactions energy: -486.177 where: short stacking energy: -232.932 Base-Backbone interact. energy: 1.739 local terms energy: -361.905842 where: bonds (distance) C4'-P energy: -76.392 bonds (distance) P-C4' energy: -79.059 flat angles C4'-P-C4' energy: -86.151 flat angles P-C4'-P energy: -60.445 tors. eta vs tors. theta energy: -59.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -387.468387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.468387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.468387 (E_RNA) where: Base-Base interactions energy: -143.974 where: short stacking energy: -106.022 Base-Backbone interact. energy: 2.175 local terms energy: -245.669577 where: bonds (distance) C4'-P energy: -87.602 bonds (distance) P-C4' energy: -76.237 flat angles C4'-P-C4' energy: -74.717 flat angles P-C4'-P energy: -26.372 tors. eta vs tors. theta energy: 19.259 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: 8 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1820.432345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.432345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.432345 (E_RNA) where: Base-Base interactions energy: -1291.456 where: short stacking energy: -511.782 Base-Backbone interact. energy: -1.253 local terms energy: -527.722969 where: bonds (distance) C4'-P energy: -106.098 bonds (distance) P-C4' energy: -88.522 flat angles C4'-P-C4' energy: -102.608 flat angles P-C4'-P energy: -73.464 tors. eta vs tors. theta energy: -157.030 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: 3 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1746.157205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.157205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.157205 (E_RNA) where: Base-Base interactions energy: -1221.731 where: short stacking energy: -512.186 Base-Backbone interact. energy: -1.645 local terms energy: -522.782105 where: bonds (distance) C4'-P energy: -93.865 bonds (distance) P-C4' energy: -81.411 flat angles C4'-P-C4' energy: -115.492 flat angles P-C4'-P energy: -79.064 tors. eta vs tors. theta energy: -152.949 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: 95 Temperature: 1.000000 Total energy: -1652.523303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.523303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.523303 (E_RNA) where: Base-Base interactions energy: -1181.745 where: short stacking energy: -469.805 Base-Backbone interact. energy: -1.946 local terms energy: -468.831973 where: bonds (distance) C4'-P energy: -75.622 bonds (distance) P-C4' energy: -83.410 flat angles C4'-P-C4' energy: -101.625 flat angles P-C4'-P energy: -71.102 tors. eta vs tors. theta energy: -137.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1574.971516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.971516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.971516 (E_RNA) where: Base-Base interactions energy: -1107.167 where: short stacking energy: -480.906 Base-Backbone interact. energy: -0.395 local terms energy: -467.409953 where: bonds (distance) C4'-P energy: -83.936 bonds (distance) P-C4' energy: -88.799 flat angles C4'-P-C4' energy: -97.675 flat angles P-C4'-P energy: -58.954 tors. eta vs tors. theta energy: -138.045 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: 6 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1415.390800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.390800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.390800 (E_RNA) where: Base-Base interactions energy: -967.995 where: short stacking energy: -406.206 Base-Backbone interact. energy: -1.744 local terms energy: -445.652003 where: bonds (distance) C4'-P energy: -76.645 bonds (distance) P-C4' energy: -87.183 flat angles C4'-P-C4' energy: -98.080 flat angles P-C4'-P energy: -62.115 tors. eta vs tors. theta energy: -121.629 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: 5 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1283.855167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.855167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.855167 (E_RNA) where: Base-Base interactions energy: -855.161 where: short stacking energy: -381.178 Base-Backbone interact. energy: -0.824 local terms energy: -427.870701 where: bonds (distance) C4'-P energy: -85.505 bonds (distance) P-C4' energy: -91.201 flat angles C4'-P-C4' energy: -85.632 flat angles P-C4'-P energy: -63.417 tors. eta vs tors. theta energy: -102.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1233.982931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.982931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.982931 (E_RNA) where: Base-Base interactions energy: -853.259 where: short stacking energy: -344.432 Base-Backbone interact. energy: -0.740 local terms energy: -379.983760 where: bonds (distance) C4'-P energy: -55.886 bonds (distance) P-C4' energy: -75.949 flat angles C4'-P-C4' energy: -96.830 flat angles P-C4'-P energy: -59.997 tors. eta vs tors. theta energy: -91.322 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: 2 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1270.148967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.148967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.148967 (E_RNA) where: Base-Base interactions energy: -849.301 where: short stacking energy: -338.625 Base-Backbone interact. energy: -1.478 local terms energy: -419.369636 where: bonds (distance) C4'-P energy: -75.778 bonds (distance) P-C4' energy: -86.777 flat angles C4'-P-C4' energy: -94.029 flat angles P-C4'-P energy: -59.713 tors. eta vs tors. theta energy: -103.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -829.805733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.805733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.805733 (E_RNA) where: Base-Base interactions energy: -516.487 where: short stacking energy: -240.323 Base-Backbone interact. energy: 5.954 local terms energy: -319.272163 where: bonds (distance) C4'-P energy: -71.892 bonds (distance) P-C4' energy: -72.072 flat angles C4'-P-C4' energy: -85.368 flat angles P-C4'-P energy: -55.348 tors. eta vs tors. theta energy: -34.592 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: 10 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -375.304942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.304942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.304942 (E_RNA) where: Base-Base interactions energy: -134.924 where: short stacking energy: -98.099 Base-Backbone interact. energy: 3.634 local terms energy: -244.015230 where: bonds (distance) C4'-P energy: -93.583 bonds (distance) P-C4' energy: -65.777 flat angles C4'-P-C4' energy: -55.912 flat angles P-C4'-P energy: -38.071 tors. eta vs tors. theta energy: 9.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1793.712933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.712933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.712933 (E_RNA) where: Base-Base interactions energy: -1254.209 where: short stacking energy: -505.166 Base-Backbone interact. energy: -1.736 local terms energy: -537.768283 where: bonds (distance) C4'-P energy: -104.599 bonds (distance) P-C4' energy: -91.755 flat angles C4'-P-C4' energy: -105.675 flat angles P-C4'-P energy: -81.441 tors. eta vs tors. theta energy: -154.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1758.124074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.124074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.124074 (E_RNA) where: Base-Base interactions energy: -1217.713 where: short stacking energy: -514.029 Base-Backbone interact. energy: -1.796 local terms energy: -538.615163 where: bonds (distance) C4'-P energy: -85.151 bonds (distance) P-C4' energy: -100.217 flat angles C4'-P-C4' energy: -117.638 flat angles P-C4'-P energy: -79.962 tors. eta vs tors. theta energy: -155.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1611.006226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.006226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.006226 (E_RNA) where: Base-Base interactions energy: -1101.581 where: short stacking energy: -447.934 Base-Backbone interact. energy: -1.022 local terms energy: -508.403383 where: bonds (distance) C4'-P energy: -93.255 bonds (distance) P-C4' energy: -106.920 flat angles C4'-P-C4' energy: -107.254 flat angles P-C4'-P energy: -70.083 tors. eta vs tors. theta energy: -130.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1566.802773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.802773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.802773 (E_RNA) where: Base-Base interactions energy: -1100.344 where: short stacking energy: -423.675 Base-Backbone interact. energy: -0.584 local terms energy: -465.875050 where: bonds (distance) C4'-P energy: -81.212 bonds (distance) P-C4' energy: -90.187 flat angles C4'-P-C4' energy: -100.935 flat angles P-C4'-P energy: -62.273 tors. eta vs tors. theta energy: -131.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1433.660150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.660150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.660150 (E_RNA) where: Base-Base interactions energy: -960.535 where: short stacking energy: -420.480 Base-Backbone interact. energy: -0.518 local terms energy: -472.607585 where: bonds (distance) C4'-P energy: -90.988 bonds (distance) P-C4' energy: -86.306 flat angles C4'-P-C4' energy: -102.276 flat angles P-C4'-P energy: -72.562 tors. eta vs tors. theta energy: -120.476 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: 5 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1224.165159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.165159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.165159 (E_RNA) where: Base-Base interactions energy: -810.836 where: short stacking energy: -361.621 Base-Backbone interact. energy: -2.313 local terms energy: -411.016228 where: bonds (distance) C4'-P energy: -81.774 bonds (distance) P-C4' energy: -80.367 flat angles C4'-P-C4' energy: -92.021 flat angles P-C4'-P energy: -61.950 tors. eta vs tors. theta energy: -94.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1255.365738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.365738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.365738 (E_RNA) where: Base-Base interactions energy: -853.309 where: short stacking energy: -349.110 Base-Backbone interact. energy: 3.787 local terms energy: -405.843633 where: bonds (distance) C4'-P energy: -78.151 bonds (distance) P-C4' energy: -85.687 flat angles C4'-P-C4' energy: -105.094 flat angles P-C4'-P energy: -47.846 tors. eta vs tors. theta energy: -89.066 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: 2 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1214.795246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.795246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.795246 (E_RNA) where: Base-Base interactions energy: -811.072 where: short stacking energy: -334.640 Base-Backbone interact. energy: -1.880 local terms energy: -401.842319 where: bonds (distance) C4'-P energy: -84.503 bonds (distance) P-C4' energy: -96.122 flat angles C4'-P-C4' energy: -79.149 flat angles P-C4'-P energy: -50.801 tors. eta vs tors. theta energy: -91.268 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: 7 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -814.710198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.710198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.710198 (E_RNA) where: Base-Base interactions energy: -507.142 where: short stacking energy: -253.284 Base-Backbone interact. energy: 0.405 local terms energy: -307.973307 where: bonds (distance) C4'-P energy: -58.069 bonds (distance) P-C4' energy: -77.970 flat angles C4'-P-C4' energy: -76.606 flat angles P-C4'-P energy: -47.219 tors. eta vs tors. theta energy: -48.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -391.491755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.491755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.491755 (E_RNA) where: Base-Base interactions energy: -113.464 where: short stacking energy: -99.427 Base-Backbone interact. energy: -0.622 local terms energy: -277.405971 where: bonds (distance) C4'-P energy: -84.902 bonds (distance) P-C4' energy: -88.238 flat angles C4'-P-C4' energy: -75.170 flat angles P-C4'-P energy: -36.354 tors. eta vs tors. theta energy: 7.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1787.856175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.856175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.856175 (E_RNA) where: Base-Base interactions energy: -1264.762 where: short stacking energy: -507.595 Base-Backbone interact. energy: -2.644 local terms energy: -520.449735 where: bonds (distance) C4'-P energy: -91.374 bonds (distance) P-C4' energy: -97.111 flat angles C4'-P-C4' energy: -109.807 flat angles P-C4'-P energy: -66.057 tors. eta vs tors. theta energy: -156.102 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: 3 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1794.158792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.158792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.158792 (E_RNA) where: Base-Base interactions energy: -1256.742 where: short stacking energy: -530.458 Base-Backbone interact. energy: -2.505 local terms energy: -534.911466 where: bonds (distance) C4'-P energy: -91.150 bonds (distance) P-C4' energy: -88.258 flat angles C4'-P-C4' energy: -112.918 flat angles P-C4'-P energy: -77.774 tors. eta vs tors. theta energy: -164.812 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: 3, replica: 1 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1613.232559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.232559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.232559 (E_RNA) where: Base-Base interactions energy: -1145.137 where: short stacking energy: -465.660 Base-Backbone interact. energy: -2.137 local terms energy: -465.957911 where: bonds (distance) C4'-P energy: -87.550 bonds (distance) P-C4' energy: -85.852 flat angles C4'-P-C4' energy: -92.150 flat angles P-C4'-P energy: -66.950 tors. eta vs tors. theta energy: -133.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1562.396200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.396200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.396200 (E_RNA) where: Base-Base interactions energy: -1079.502 where: short stacking energy: -429.787 Base-Backbone interact. energy: -1.851 local terms energy: -481.043255 where: bonds (distance) C4'-P energy: -93.148 bonds (distance) P-C4' energy: -87.081 flat angles C4'-P-C4' energy: -98.530 flat angles P-C4'-P energy: -72.555 tors. eta vs tors. theta energy: -129.729 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: 6 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1444.409689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.409689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.409689 (E_RNA) where: Base-Base interactions energy: -980.924 where: short stacking energy: -425.407 Base-Backbone interact. energy: -1.265 local terms energy: -462.220985 where: bonds (distance) C4'-P energy: -89.835 bonds (distance) P-C4' energy: -96.075 flat angles C4'-P-C4' energy: -98.531 flat angles P-C4'-P energy: -65.906 tors. eta vs tors. theta energy: -111.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1303.549515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.549515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.549515 (E_RNA) where: Base-Base interactions energy: -874.378 where: short stacking energy: -377.801 Base-Backbone interact. energy: -0.652 local terms energy: -428.519049 where: bonds (distance) C4'-P energy: -80.621 bonds (distance) P-C4' energy: -97.028 flat angles C4'-P-C4' energy: -93.932 flat angles P-C4'-P energy: -58.323 tors. eta vs tors. theta energy: -98.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1189.896325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.896325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.896325 (E_RNA) where: Base-Base interactions energy: -785.931 where: short stacking energy: -334.002 Base-Backbone interact. energy: 2.889 local terms energy: -406.853983 where: bonds (distance) C4'-P energy: -85.945 bonds (distance) P-C4' energy: -90.348 flat angles C4'-P-C4' energy: -83.275 flat angles P-C4'-P energy: -60.458 tors. eta vs tors. theta energy: -86.829 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: 97 Temperature: 1.250000 Total energy: -1224.408919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.408919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.408919 (E_RNA) where: Base-Base interactions energy: -847.156 where: short stacking energy: -330.218 Base-Backbone interact. energy: -3.043 local terms energy: -374.209719 where: bonds (distance) C4'-P energy: -80.070 bonds (distance) P-C4' energy: -76.847 flat angles C4'-P-C4' energy: -85.957 flat angles P-C4'-P energy: -54.983 tors. eta vs tors. theta energy: -76.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -747.620578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.620578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.620578 (E_RNA) where: Base-Base interactions energy: -424.659 where: short stacking energy: -211.765 Base-Backbone interact. energy: 0.811 local terms energy: -323.772652 where: bonds (distance) C4'-P energy: -82.266 bonds (distance) P-C4' energy: -102.268 flat angles C4'-P-C4' energy: -76.799 flat angles P-C4'-P energy: -33.639 tors. eta vs tors. theta energy: -28.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -379.410546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.410546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.410546 (E_RNA) where: Base-Base interactions energy: -130.313 where: short stacking energy: -118.716 Base-Backbone interact. energy: 0.412 local terms energy: -249.510031 where: bonds (distance) C4'-P energy: -82.566 bonds (distance) P-C4' energy: -71.248 flat angles C4'-P-C4' energy: -65.895 flat angles P-C4'-P energy: -38.327 tors. eta vs tors. theta energy: 8.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1785.983560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.983560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.983560 (E_RNA) where: Base-Base interactions energy: -1269.256 where: short stacking energy: -511.394 Base-Backbone interact. energy: -1.510 local terms energy: -515.216970 where: bonds (distance) C4'-P energy: -84.607 bonds (distance) P-C4' energy: -95.720 flat angles C4'-P-C4' energy: -112.799 flat angles P-C4'-P energy: -76.770 tors. eta vs tors. theta energy: -145.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1760.748412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.748412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.748412 (E_RNA) where: Base-Base interactions energy: -1224.884 where: short stacking energy: -507.975 Base-Backbone interact. energy: 1.408 local terms energy: -537.272752 where: bonds (distance) C4'-P energy: -97.440 bonds (distance) P-C4' energy: -92.763 flat angles C4'-P-C4' energy: -113.939 flat angles P-C4'-P energy: -77.666 tors. eta vs tors. theta energy: -155.464 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: 4 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1604.901761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.901761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.901761 (E_RNA) where: Base-Base interactions energy: -1114.890 where: short stacking energy: -446.843 Base-Backbone interact. energy: -1.885 local terms energy: -488.126283 where: bonds (distance) C4'-P energy: -85.456 bonds (distance) P-C4' energy: -97.756 flat angles C4'-P-C4' energy: -101.936 flat angles P-C4'-P energy: -66.300 tors. eta vs tors. theta energy: -136.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1545.153969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.153969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.153969 (E_RNA) where: Base-Base interactions energy: -1046.476 where: short stacking energy: -437.605 Base-Backbone interact. energy: -1.895 local terms energy: -496.782807 where: bonds (distance) C4'-P energy: -80.435 bonds (distance) P-C4' energy: -89.812 flat angles C4'-P-C4' energy: -113.499 flat angles P-C4'-P energy: -73.997 tors. eta vs tors. theta energy: -139.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1443.171605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.171605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.171605 (E_RNA) where: Base-Base interactions energy: -955.715 where: short stacking energy: -416.880 Base-Backbone interact. energy: -0.309 local terms energy: -487.147412 where: bonds (distance) C4'-P energy: -97.352 bonds (distance) P-C4' energy: -99.065 flat angles C4'-P-C4' energy: -103.711 flat angles P-C4'-P energy: -65.255 tors. eta vs tors. theta energy: -121.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1301.914212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.914212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.914212 (E_RNA) where: Base-Base interactions energy: -885.471 where: short stacking energy: -362.478 Base-Backbone interact. energy: -1.273 local terms energy: -415.169813 where: bonds (distance) C4'-P energy: -72.134 bonds (distance) P-C4' energy: -83.634 flat angles C4'-P-C4' energy: -97.154 flat angles P-C4'-P energy: -69.941 tors. eta vs tors. theta energy: -92.307 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: 2 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1265.357650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.357650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.357650 (E_RNA) where: Base-Base interactions energy: -826.946 where: short stacking energy: -352.129 Base-Backbone interact. energy: -0.966 local terms energy: -437.446291 where: bonds (distance) C4'-P energy: -98.277 bonds (distance) P-C4' energy: -83.978 flat angles C4'-P-C4' energy: -101.609 flat angles P-C4'-P energy: -57.890 tors. eta vs tors. theta energy: -95.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1151.044085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.044085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.044085 (E_RNA) where: Base-Base interactions energy: -762.163 where: short stacking energy: -319.418 Base-Backbone interact. energy: -0.293 local terms energy: -388.588208 where: bonds (distance) C4'-P energy: -83.996 bonds (distance) P-C4' energy: -87.985 flat angles C4'-P-C4' energy: -89.011 flat angles P-C4'-P energy: -54.948 tors. eta vs tors. theta energy: -72.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -720.079297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.079297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.079297 (E_RNA) where: Base-Base interactions energy: -407.488 where: short stacking energy: -200.586 Base-Backbone interact. energy: -3.261 local terms energy: -309.330388 where: bonds (distance) C4'-P energy: -73.871 bonds (distance) P-C4' energy: -87.079 flat angles C4'-P-C4' energy: -79.122 flat angles P-C4'-P energy: -57.027 tors. eta vs tors. theta energy: -12.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -383.382960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.382960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.382960 (E_RNA) where: Base-Base interactions energy: -155.170 where: short stacking energy: -109.882 Base-Backbone interact. energy: 0.431 local terms energy: -228.643497 where: bonds (distance) C4'-P energy: -84.671 bonds (distance) P-C4' energy: -68.260 flat angles C4'-P-C4' energy: -63.819 flat angles P-C4'-P energy: -34.534 tors. eta vs tors. theta energy: 22.641 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: 8 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1781.539302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.539302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.539302 (E_RNA) where: Base-Base interactions energy: -1262.515 where: short stacking energy: -517.268 Base-Backbone interact. energy: -1.167 local terms energy: -517.857938 where: bonds (distance) C4'-P energy: -103.372 bonds (distance) P-C4' energy: -85.699 flat angles C4'-P-C4' energy: -113.786 flat angles P-C4'-P energy: -63.433 tors. eta vs tors. theta energy: -151.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1785.428424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.428424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.428424 (E_RNA) where: Base-Base interactions energy: -1256.694 where: short stacking energy: -500.446 Base-Backbone interact. energy: 0.072 local terms energy: -528.806928 where: bonds (distance) C4'-P energy: -78.274 bonds (distance) P-C4' energy: -92.544 flat angles C4'-P-C4' energy: -124.138 flat angles P-C4'-P energy: -74.385 tors. eta vs tors. theta energy: -159.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1600.069525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.069525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.069525 (E_RNA) where: Base-Base interactions energy: -1114.987 where: short stacking energy: -423.561 Base-Backbone interact. energy: -0.046 local terms energy: -485.036808 where: bonds (distance) C4'-P energy: -92.141 bonds (distance) P-C4' energy: -105.257 flat angles C4'-P-C4' energy: -96.170 flat angles P-C4'-P energy: -64.443 tors. eta vs tors. theta energy: -127.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1585.418177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.418177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.418177 (E_RNA) where: Base-Base interactions energy: -1102.090 where: short stacking energy: -450.900 Base-Backbone interact. energy: -0.693 local terms energy: -482.634592 where: bonds (distance) C4'-P energy: -91.940 bonds (distance) P-C4' energy: -93.468 flat angles C4'-P-C4' energy: -97.940 flat angles P-C4'-P energy: -66.457 tors. eta vs tors. theta energy: -132.830 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: 6 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1414.150492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.150492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.150492 (E_RNA) where: Base-Base interactions energy: -974.046 where: short stacking energy: -407.529 Base-Backbone interact. energy: 1.092 local terms energy: -441.196284 where: bonds (distance) C4'-P energy: -85.084 bonds (distance) P-C4' energy: -90.720 flat angles C4'-P-C4' energy: -89.502 flat angles P-C4'-P energy: -69.139 tors. eta vs tors. theta energy: -106.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1323.113888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.113888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.113888 (E_RNA) where: Base-Base interactions energy: -905.731 where: short stacking energy: -382.097 Base-Backbone interact. energy: -0.150 local terms energy: -417.232827 where: bonds (distance) C4'-P energy: -66.448 bonds (distance) P-C4' energy: -93.351 flat angles C4'-P-C4' energy: -92.747 flat angles P-C4'-P energy: -54.308 tors. eta vs tors. theta energy: -110.379 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: 7, replica: 2 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1242.898684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.898684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.898684 (E_RNA) where: Base-Base interactions energy: -833.779 where: short stacking energy: -341.759 Base-Backbone interact. energy: 0.379 local terms energy: -409.498419 where: bonds (distance) C4'-P energy: -81.129 bonds (distance) P-C4' energy: -78.243 flat angles C4'-P-C4' energy: -101.878 flat angles P-C4'-P energy: -53.427 tors. eta vs tors. theta energy: -94.822 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: 5 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1153.696797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.696797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.696797 (E_RNA) where: Base-Base interactions energy: -768.248 where: short stacking energy: -323.594 Base-Backbone interact. energy: -0.801 local terms energy: -384.647633 where: bonds (distance) C4'-P energy: -73.925 bonds (distance) P-C4' energy: -80.630 flat angles C4'-P-C4' energy: -86.633 flat angles P-C4'-P energy: -57.679 tors. eta vs tors. theta energy: -85.780 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: 99 Temperature: 1.300000 Total energy: -719.366326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.366326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.366326 (E_RNA) where: Base-Base interactions energy: -427.689 where: short stacking energy: -188.266 Base-Backbone interact. energy: 2.916 local terms energy: -294.593666 where: bonds (distance) C4'-P energy: -66.611 bonds (distance) P-C4' energy: -91.540 flat angles C4'-P-C4' energy: -69.466 flat angles P-C4'-P energy: -46.258 tors. eta vs tors. theta energy: -20.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -385.301799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.301799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.301799 (E_RNA) where: Base-Base interactions energy: -120.959 where: short stacking energy: -112.230 Base-Backbone interact. energy: -4.332 local terms energy: -260.010386 where: bonds (distance) C4'-P energy: -71.225 bonds (distance) P-C4' energy: -77.469 flat angles C4'-P-C4' energy: -74.670 flat angles P-C4'-P energy: -43.825 tors. eta vs tors. theta energy: 7.177 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: 1, replica: 8 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1792.234101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.234101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.234101 (E_RNA) where: Base-Base interactions energy: -1257.655 where: short stacking energy: -512.796 Base-Backbone interact. energy: -1.133 local terms energy: -533.446775 where: bonds (distance) C4'-P energy: -99.170 bonds (distance) P-C4' energy: -94.733 flat angles C4'-P-C4' energy: -116.373 flat angles P-C4'-P energy: -71.106 tors. eta vs tors. theta energy: -152.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1754.444256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.444256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.444256 (E_RNA) where: Base-Base interactions energy: -1234.014 where: short stacking energy: -494.425 Base-Backbone interact. energy: -2.611 local terms energy: -517.819212 where: bonds (distance) C4'-P energy: -87.887 bonds (distance) P-C4' energy: -92.022 flat angles C4'-P-C4' energy: -112.185 flat angles P-C4'-P energy: -75.115 tors. eta vs tors. theta energy: -150.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1636.646133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.646133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.646133 (E_RNA) where: Base-Base interactions energy: -1124.955 where: short stacking energy: -444.907 Base-Backbone interact. energy: -1.603 local terms energy: -510.088044 where: bonds (distance) C4'-P energy: -92.213 bonds (distance) P-C4' energy: -92.167 flat angles C4'-P-C4' energy: -106.834 flat angles P-C4'-P energy: -76.425 tors. eta vs tors. theta energy: -142.448 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: 1 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1591.368581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.368581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.368581 (E_RNA) where: Base-Base interactions energy: -1102.582 where: short stacking energy: -455.786 Base-Backbone interact. energy: -0.300 local terms energy: -488.486919 where: bonds (distance) C4'-P energy: -93.608 bonds (distance) P-C4' energy: -85.860 flat angles C4'-P-C4' energy: -111.119 flat angles P-C4'-P energy: -66.240 tors. eta vs tors. theta energy: -131.661 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: 5, replica: 6 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1404.466325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.466325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.466325 (E_RNA) where: Base-Base interactions energy: -936.767 where: short stacking energy: -400.365 Base-Backbone interact. energy: 1.348 local terms energy: -469.047270 where: bonds (distance) C4'-P energy: -86.910 bonds (distance) P-C4' energy: -91.936 flat angles C4'-P-C4' energy: -110.500 flat angles P-C4'-P energy: -62.175 tors. eta vs tors. theta energy: -117.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1356.955937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.955937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.955937 (E_RNA) where: Base-Base interactions energy: -910.741 where: short stacking energy: -390.088 Base-Backbone interact. energy: 0.999 local terms energy: -447.214465 where: bonds (distance) C4'-P energy: -85.918 bonds (distance) P-C4' energy: -91.368 flat angles C4'-P-C4' energy: -89.178 flat angles P-C4'-P energy: -69.531 tors. eta vs tors. theta energy: -111.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1283.613774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.613774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.613774 (E_RNA) where: Base-Base interactions energy: -859.829 where: short stacking energy: -386.742 Base-Backbone interact. energy: -1.432 local terms energy: -422.352356 where: bonds (distance) C4'-P energy: -75.809 bonds (distance) P-C4' energy: -90.971 flat angles C4'-P-C4' energy: -85.825 flat angles P-C4'-P energy: -52.623 tors. eta vs tors. theta energy: -117.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1135.886210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.886210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.886210 (E_RNA) where: Base-Base interactions energy: -752.786 where: short stacking energy: -300.546 Base-Backbone interact. energy: 1.687 local terms energy: -384.787019 where: bonds (distance) C4'-P energy: -72.270 bonds (distance) P-C4' energy: -76.308 flat angles C4'-P-C4' energy: -81.543 flat angles P-C4'-P energy: -66.862 tors. eta vs tors. theta energy: -87.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -769.663542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.663542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.663542 (E_RNA) where: Base-Base interactions energy: -438.046 where: short stacking energy: -219.615 Base-Backbone interact. energy: 3.298 local terms energy: -334.916494 where: bonds (distance) C4'-P energy: -98.571 bonds (distance) P-C4' energy: -86.184 flat angles C4'-P-C4' energy: -76.253 flat angles P-C4'-P energy: -37.176 tors. eta vs tors. theta energy: -36.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -382.495004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.495004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.495004 (E_RNA) where: Base-Base interactions energy: -132.011 where: short stacking energy: -113.919 Base-Backbone interact. energy: -0.850 local terms energy: -249.634247 where: bonds (distance) C4'-P energy: -64.462 bonds (distance) P-C4' energy: -73.011 flat angles C4'-P-C4' energy: -79.695 flat angles P-C4'-P energy: -40.559 tors. eta vs tors. theta energy: 8.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1797.507697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.507697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.507697 (E_RNA) where: Base-Base interactions energy: -1252.177 where: short stacking energy: -507.725 Base-Backbone interact. energy: -1.581 local terms energy: -543.749892 where: bonds (distance) C4'-P energy: -92.497 bonds (distance) P-C4' energy: -107.442 flat angles C4'-P-C4' energy: -115.276 flat angles P-C4'-P energy: -76.299 tors. eta vs tors. theta energy: -152.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1760.268515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.268515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.268515 (E_RNA) where: Base-Base interactions energy: -1241.126 where: short stacking energy: -511.109 Base-Backbone interact. energy: 0.179 local terms energy: -519.322227 where: bonds (distance) C4'-P energy: -85.037 bonds (distance) P-C4' energy: -98.200 flat angles C4'-P-C4' energy: -107.469 flat angles P-C4'-P energy: -76.075 tors. eta vs tors. theta energy: -152.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1615.114030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.114030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.114030 (E_RNA) where: Base-Base interactions energy: -1124.656 where: short stacking energy: -452.101 Base-Backbone interact. energy: 3.940 local terms energy: -494.398505 where: bonds (distance) C4'-P energy: -81.884 bonds (distance) P-C4' energy: -93.423 flat angles C4'-P-C4' energy: -108.408 flat angles P-C4'-P energy: -70.894 tors. eta vs tors. theta energy: -139.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1587.856354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.856354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.856354 (E_RNA) where: Base-Base interactions energy: -1111.438 where: short stacking energy: -450.502 Base-Backbone interact. energy: 1.825 local terms energy: -478.242993 where: bonds (distance) C4'-P energy: -85.949 bonds (distance) P-C4' energy: -88.506 flat angles C4'-P-C4' energy: -96.207 flat angles P-C4'-P energy: -69.382 tors. eta vs tors. theta energy: -138.199 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: 6 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1451.217530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.217530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.217530 (E_RNA) where: Base-Base interactions energy: -982.965 where: short stacking energy: -410.296 Base-Backbone interact. energy: -0.649 local terms energy: -467.603799 where: bonds (distance) C4'-P energy: -94.718 bonds (distance) P-C4' energy: -85.168 flat angles C4'-P-C4' energy: -102.755 flat angles P-C4'-P energy: -66.693 tors. eta vs tors. theta energy: -118.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1333.203629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.203629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.203629 (E_RNA) where: Base-Base interactions energy: -917.891 where: short stacking energy: -379.190 Base-Backbone interact. energy: -0.050 local terms energy: -415.262081 where: bonds (distance) C4'-P energy: -76.116 bonds (distance) P-C4' energy: -95.923 flat angles C4'-P-C4' energy: -91.277 flat angles P-C4'-P energy: -54.082 tors. eta vs tors. theta energy: -97.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1280.159497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.159497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.159497 (E_RNA) where: Base-Base interactions energy: -868.948 where: short stacking energy: -363.112 Base-Backbone interact. energy: 3.273 local terms energy: -414.484596 where: bonds (distance) C4'-P energy: -72.750 bonds (distance) P-C4' energy: -91.093 flat angles C4'-P-C4' energy: -94.242 flat angles P-C4'-P energy: -56.548 tors. eta vs tors. theta energy: -99.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1112.050607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.050607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.050607 (E_RNA) where: Base-Base interactions energy: -758.956 where: short stacking energy: -307.424 Base-Backbone interact. energy: 0.411 local terms energy: -353.506041 where: bonds (distance) C4'-P energy: -85.975 bonds (distance) P-C4' energy: -62.584 flat angles C4'-P-C4' energy: -84.049 flat angles P-C4'-P energy: -50.312 tors. eta vs tors. theta energy: -70.586 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: 7 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -783.109992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.109992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.109992 (E_RNA) where: Base-Base interactions energy: -455.811 where: short stacking energy: -215.426 Base-Backbone interact. energy: 1.755 local terms energy: -329.054237 where: bonds (distance) C4'-P energy: -79.742 bonds (distance) P-C4' energy: -79.026 flat angles C4'-P-C4' energy: -94.128 flat angles P-C4'-P energy: -51.470 tors. eta vs tors. theta energy: -24.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -368.493144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.493144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.493144 (E_RNA) where: Base-Base interactions energy: -92.352 where: short stacking energy: -79.093 Base-Backbone interact. energy: -0.096 local terms energy: -276.045363 where: bonds (distance) C4'-P energy: -76.205 bonds (distance) P-C4' energy: -98.443 flat angles C4'-P-C4' energy: -73.245 flat angles P-C4'-P energy: -50.224 tors. eta vs tors. theta energy: 22.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1795.141689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.141689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.141689 (E_RNA) where: Base-Base interactions energy: -1267.234 where: short stacking energy: -509.881 Base-Backbone interact. energy: -1.431 local terms energy: -526.476443 where: bonds (distance) C4'-P energy: -84.903 bonds (distance) P-C4' energy: -96.125 flat angles C4'-P-C4' energy: -109.677 flat angles P-C4'-P energy: -79.557 tors. eta vs tors. theta energy: -156.214 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: 8 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1737.060358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.060358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.060358 (E_RNA) where: Base-Base interactions energy: -1206.752 where: short stacking energy: -502.430 Base-Backbone interact. energy: -2.703 local terms energy: -527.605100 where: bonds (distance) C4'-P energy: -83.160 bonds (distance) P-C4' energy: -102.555 flat angles C4'-P-C4' energy: -109.569 flat angles P-C4'-P energy: -72.960 tors. eta vs tors. theta energy: -159.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1627.393908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.393908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.393908 (E_RNA) where: Base-Base interactions energy: -1117.341 where: short stacking energy: -465.028 Base-Backbone interact. energy: -1.524 local terms energy: -508.528719 where: bonds (distance) C4'-P energy: -85.684 bonds (distance) P-C4' energy: -96.209 flat angles C4'-P-C4' energy: -106.472 flat angles P-C4'-P energy: -80.595 tors. eta vs tors. theta energy: -139.568 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: 1 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1639.896721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.896721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.896721 (E_RNA) where: Base-Base interactions energy: -1151.660 where: short stacking energy: -466.477 Base-Backbone interact. energy: -1.529 local terms energy: -486.708423 where: bonds (distance) C4'-P energy: -75.846 bonds (distance) P-C4' energy: -89.631 flat angles C4'-P-C4' energy: -105.528 flat angles P-C4'-P energy: -79.328 tors. eta vs tors. theta energy: -136.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1442.152208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.152208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.152208 (E_RNA) where: Base-Base interactions energy: -985.032 where: short stacking energy: -407.504 Base-Backbone interact. energy: -1.190 local terms energy: -455.930811 where: bonds (distance) C4'-P energy: -95.590 bonds (distance) P-C4' energy: -71.556 flat angles C4'-P-C4' energy: -101.931 flat angles P-C4'-P energy: -70.379 tors. eta vs tors. theta energy: -116.476 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: 2 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1365.425831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.425831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.425831 (E_RNA) where: Base-Base interactions energy: -924.319 where: short stacking energy: -390.553 Base-Backbone interact. energy: 1.474 local terms energy: -442.581209 where: bonds (distance) C4'-P energy: -85.949 bonds (distance) P-C4' energy: -95.316 flat angles C4'-P-C4' energy: -91.306 flat angles P-C4'-P energy: -68.024 tors. eta vs tors. theta energy: -101.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1254.794673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.794673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.794673 (E_RNA) where: Base-Base interactions energy: -848.226 where: short stacking energy: -356.650 Base-Backbone interact. energy: -1.482 local terms energy: -405.086113 where: bonds (distance) C4'-P energy: -69.409 bonds (distance) P-C4' energy: -84.674 flat angles C4'-P-C4' energy: -101.664 flat angles P-C4'-P energy: -55.524 tors. eta vs tors. theta energy: -93.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1119.933965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.933965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.933965 (E_RNA) where: Base-Base interactions energy: -720.093 where: short stacking energy: -314.199 Base-Backbone interact. energy: 2.052 local terms energy: -401.893312 where: bonds (distance) C4'-P energy: -82.041 bonds (distance) P-C4' energy: -86.703 flat angles C4'-P-C4' energy: -94.151 flat angles P-C4'-P energy: -51.721 tors. eta vs tors. theta energy: -87.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -738.155227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.155227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.155227 (E_RNA) where: Base-Base interactions energy: -413.652 where: short stacking energy: -182.283 Base-Backbone interact. energy: -1.198 local terms energy: -323.305308 where: bonds (distance) C4'-P energy: -72.873 bonds (distance) P-C4' energy: -92.773 flat angles C4'-P-C4' energy: -90.624 flat angles P-C4'-P energy: -45.188 tors. eta vs tors. theta energy: -21.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -410.568365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.568365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.568365 (E_RNA) where: Base-Base interactions energy: -159.247 where: short stacking energy: -103.463 Base-Backbone interact. energy: -1.680 local terms energy: -249.641301 where: bonds (distance) C4'-P energy: -84.803 bonds (distance) P-C4' energy: -82.247 flat angles C4'-P-C4' energy: -68.771 flat angles P-C4'-P energy: -31.077 tors. eta vs tors. theta energy: 17.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1808.178645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.178645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.178645 (E_RNA) where: Base-Base interactions energy: -1292.838 where: short stacking energy: -529.802 Base-Backbone interact. energy: 0.673 local terms energy: -516.013862 where: bonds (distance) C4'-P energy: -91.079 bonds (distance) P-C4' energy: -88.465 flat angles C4'-P-C4' energy: -102.112 flat angles P-C4'-P energy: -73.035 tors. eta vs tors. theta energy: -161.323 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: 8 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1755.928357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.928357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.928357 (E_RNA) where: Base-Base interactions energy: -1225.206 where: short stacking energy: -480.435 Base-Backbone interact. energy: -0.818 local terms energy: -529.903720 where: bonds (distance) C4'-P energy: -100.385 bonds (distance) P-C4' energy: -99.132 flat angles C4'-P-C4' energy: -111.415 flat angles P-C4'-P energy: -69.133 tors. eta vs tors. theta energy: -149.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1634.337183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.337183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.337183 (E_RNA) where: Base-Base interactions energy: -1128.929 where: short stacking energy: -450.565 Base-Backbone interact. energy: 0.098 local terms energy: -505.506210 where: bonds (distance) C4'-P energy: -87.905 bonds (distance) P-C4' energy: -91.977 flat angles C4'-P-C4' energy: -105.276 flat angles P-C4'-P energy: -79.420 tors. eta vs tors. theta energy: -140.929 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: 1 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1612.624001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.624001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.624001 (E_RNA) where: Base-Base interactions energy: -1104.185 where: short stacking energy: -446.462 Base-Backbone interact. energy: -0.287 local terms energy: -508.152705 where: bonds (distance) C4'-P energy: -93.755 bonds (distance) P-C4' energy: -96.672 flat angles C4'-P-C4' energy: -113.220 flat angles P-C4'-P energy: -69.022 tors. eta vs tors. theta energy: -135.484 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: 6 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1456.797157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.797157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.797157 (E_RNA) where: Base-Base interactions energy: -1000.095 where: short stacking energy: -416.533 Base-Backbone interact. energy: -2.253 local terms energy: -454.449972 where: bonds (distance) C4'-P energy: -92.343 bonds (distance) P-C4' energy: -94.600 flat angles C4'-P-C4' energy: -97.150 flat angles P-C4'-P energy: -66.163 tors. eta vs tors. theta energy: -104.193 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: 2 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1416.658092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.658092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.658092 (E_RNA) where: Base-Base interactions energy: -985.851 where: short stacking energy: -423.335 Base-Backbone interact. energy: -0.900 local terms energy: -429.906936 where: bonds (distance) C4'-P energy: -71.689 bonds (distance) P-C4' energy: -85.546 flat angles C4'-P-C4' energy: -100.845 flat angles P-C4'-P energy: -53.234 tors. eta vs tors. theta energy: -118.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1316.421556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.421556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.421556 (E_RNA) where: Base-Base interactions energy: -871.186 where: short stacking energy: -375.023 Base-Backbone interact. energy: -0.907 local terms energy: -444.328654 where: bonds (distance) C4'-P energy: -89.263 bonds (distance) P-C4' energy: -105.871 flat angles C4'-P-C4' energy: -90.898 flat angles P-C4'-P energy: -55.462 tors. eta vs tors. theta energy: -102.834 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: 5 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1115.614948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.614948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.614948 (E_RNA) where: Base-Base interactions energy: -720.529 where: short stacking energy: -318.570 Base-Backbone interact. energy: 0.130 local terms energy: -395.216301 where: bonds (distance) C4'-P energy: -79.185 bonds (distance) P-C4' energy: -81.422 flat angles C4'-P-C4' energy: -94.124 flat angles P-C4'-P energy: -61.820 tors. eta vs tors. theta energy: -78.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -746.648077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.648077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.648077 (E_RNA) where: Base-Base interactions energy: -435.037 where: short stacking energy: -210.406 Base-Backbone interact. energy: -1.834 local terms energy: -309.777067 where: bonds (distance) C4'-P energy: -80.842 bonds (distance) P-C4' energy: -59.233 flat angles C4'-P-C4' energy: -89.477 flat angles P-C4'-P energy: -41.934 tors. eta vs tors. theta energy: -38.291 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: 10 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -376.182407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.182407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.182407 (E_RNA) where: Base-Base interactions energy: -119.792 where: short stacking energy: -104.580 Base-Backbone interact. energy: -0.162 local terms energy: -256.228063 where: bonds (distance) C4'-P energy: -78.719 bonds (distance) P-C4' energy: -83.878 flat angles C4'-P-C4' energy: -66.574 flat angles P-C4'-P energy: -35.678 tors. eta vs tors. theta energy: 8.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1836.519925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.519925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.519925 (E_RNA) where: Base-Base interactions energy: -1281.882 where: short stacking energy: -511.951 Base-Backbone interact. energy: -1.265 local terms energy: -553.373047 where: bonds (distance) C4'-P energy: -95.670 bonds (distance) P-C4' energy: -109.864 flat angles C4'-P-C4' energy: -106.664 flat angles P-C4'-P energy: -81.400 tors. eta vs tors. theta energy: -159.776 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: 8 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1758.591256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.591256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.591256 (E_RNA) where: Base-Base interactions energy: -1223.284 where: short stacking energy: -479.581 Base-Backbone interact. energy: -3.142 local terms energy: -532.165656 where: bonds (distance) C4'-P energy: -96.619 bonds (distance) P-C4' energy: -99.253 flat angles C4'-P-C4' energy: -114.646 flat angles P-C4'-P energy: -77.062 tors. eta vs tors. theta energy: -144.586 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: 4 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1643.456284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.456284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.456284 (E_RNA) where: Base-Base interactions energy: -1157.736 where: short stacking energy: -461.136 Base-Backbone interact. energy: -0.678 local terms energy: -485.042347 where: bonds (distance) C4'-P energy: -78.321 bonds (distance) P-C4' energy: -78.395 flat angles C4'-P-C4' energy: -111.850 flat angles P-C4'-P energy: -77.275 tors. eta vs tors. theta energy: -139.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1619.055444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.055444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.055444 (E_RNA) where: Base-Base interactions energy: -1110.224 where: short stacking energy: -466.129 Base-Backbone interact. energy: 2.807 local terms energy: -511.638459 where: bonds (distance) C4'-P energy: -85.848 bonds (distance) P-C4' energy: -93.314 flat angles C4'-P-C4' energy: -111.382 flat angles P-C4'-P energy: -77.000 tors. eta vs tors. theta energy: -144.095 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: 5, replica: 6 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1465.160935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.160935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.160935 (E_RNA) where: Base-Base interactions energy: -1010.350 where: short stacking energy: -417.612 Base-Backbone interact. energy: 0.388 local terms energy: -455.198977 where: bonds (distance) C4'-P energy: -83.148 bonds (distance) P-C4' energy: -84.571 flat angles C4'-P-C4' energy: -105.328 flat angles P-C4'-P energy: -55.870 tors. eta vs tors. theta energy: -126.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1394.610418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.610418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.610418 (E_RNA) where: Base-Base interactions energy: -957.614 where: short stacking energy: -386.557 Base-Backbone interact. energy: 0.823 local terms energy: -437.819415 where: bonds (distance) C4'-P energy: -94.733 bonds (distance) P-C4' energy: -89.527 flat angles C4'-P-C4' energy: -94.895 flat angles P-C4'-P energy: -52.965 tors. eta vs tors. theta energy: -105.700 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: 9 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1261.880554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.880554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.880554 (E_RNA) where: Base-Base interactions energy: -856.247 where: short stacking energy: -359.811 Base-Backbone interact. energy: 1.456 local terms energy: -407.090397 where: bonds (distance) C4'-P energy: -84.141 bonds (distance) P-C4' energy: -86.321 flat angles C4'-P-C4' energy: -91.340 flat angles P-C4'-P energy: -57.915 tors. eta vs tors. theta energy: -87.373 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: 5 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1095.773486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.773486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.773486 (E_RNA) where: Base-Base interactions energy: -726.911 where: short stacking energy: -338.852 Base-Backbone interact. energy: -2.653 local terms energy: -366.209858 where: bonds (distance) C4'-P energy: -69.867 bonds (distance) P-C4' energy: -68.991 flat angles C4'-P-C4' energy: -93.381 flat angles P-C4'-P energy: -46.438 tors. eta vs tors. theta energy: -87.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -729.918587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.918587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.918587 (E_RNA) where: Base-Base interactions energy: -408.905 where: short stacking energy: -209.465 Base-Backbone interact. energy: -0.595 local terms energy: -320.419030 where: bonds (distance) C4'-P energy: -68.668 bonds (distance) P-C4' energy: -81.961 flat angles C4'-P-C4' energy: -79.864 flat angles P-C4'-P energy: -55.084 tors. eta vs tors. theta energy: -34.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -371.436951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.436951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.436951 (E_RNA) where: Base-Base interactions energy: -126.812 where: short stacking energy: -104.293 Base-Backbone interact. energy: -2.821 local terms energy: -241.803812 where: bonds (distance) C4'-P energy: -79.414 bonds (distance) P-C4' energy: -87.087 flat angles C4'-P-C4' energy: -59.222 flat angles P-C4'-P energy: -29.406 tors. eta vs tors. theta energy: 13.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1835.165257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.165257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.165257 (E_RNA) where: Base-Base interactions energy: -1289.013 where: short stacking energy: -515.939 Base-Backbone interact. energy: 0.463 local terms energy: -546.614581 where: bonds (distance) C4'-P energy: -100.102 bonds (distance) P-C4' energy: -97.732 flat angles C4'-P-C4' energy: -111.928 flat angles P-C4'-P energy: -76.639 tors. eta vs tors. theta energy: -160.214 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: 8 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1763.664015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.664015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.664015 (E_RNA) where: Base-Base interactions energy: -1241.493 where: short stacking energy: -500.559 Base-Backbone interact. energy: 1.786 local terms energy: -523.957142 where: bonds (distance) C4'-P energy: -98.450 bonds (distance) P-C4' energy: -84.916 flat angles C4'-P-C4' energy: -108.202 flat angles P-C4'-P energy: -81.403 tors. eta vs tors. theta energy: -150.986 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: 4 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1621.872291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.872291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.872291 (E_RNA) where: Base-Base interactions energy: -1133.683 where: short stacking energy: -436.629 Base-Backbone interact. energy: 3.673 local terms energy: -491.862333 where: bonds (distance) C4'-P energy: -91.201 bonds (distance) P-C4' energy: -104.453 flat angles C4'-P-C4' energy: -96.951 flat angles P-C4'-P energy: -64.533 tors. eta vs tors. theta energy: -134.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1569.158863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.158863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.158863 (E_RNA) where: Base-Base interactions energy: -1083.815 where: short stacking energy: -433.394 Base-Backbone interact. energy: -0.606 local terms energy: -484.737405 where: bonds (distance) C4'-P energy: -92.482 bonds (distance) P-C4' energy: -100.972 flat angles C4'-P-C4' energy: -99.343 flat angles P-C4'-P energy: -62.903 tors. eta vs tors. theta energy: -129.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1432.780772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.780772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.780772 (E_RNA) where: Base-Base interactions energy: -986.161 where: short stacking energy: -389.461 Base-Backbone interact. energy: 0.271 local terms energy: -446.891189 where: bonds (distance) C4'-P energy: -82.708 bonds (distance) P-C4' energy: -91.354 flat angles C4'-P-C4' energy: -97.493 flat angles P-C4'-P energy: -68.598 tors. eta vs tors. theta energy: -106.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1415.817021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.817021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.817021 (E_RNA) where: Base-Base interactions energy: -978.048 where: short stacking energy: -397.204 Base-Backbone interact. energy: -1.593 local terms energy: -436.175558 where: bonds (distance) C4'-P energy: -99.009 bonds (distance) P-C4' energy: -76.373 flat angles C4'-P-C4' energy: -91.694 flat angles P-C4'-P energy: -58.157 tors. eta vs tors. theta energy: -110.943 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: 7, replica: 9 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1228.215870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.215870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.215870 (E_RNA) where: Base-Base interactions energy: -820.656 where: short stacking energy: -328.840 Base-Backbone interact. energy: -0.969 local terms energy: -406.591071 where: bonds (distance) C4'-P energy: -80.705 bonds (distance) P-C4' energy: -83.547 flat angles C4'-P-C4' energy: -101.548 flat angles P-C4'-P energy: -56.298 tors. eta vs tors. theta energy: -84.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1120.731997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.731997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.731997 (E_RNA) where: Base-Base interactions energy: -747.096 where: short stacking energy: -330.507 Base-Backbone interact. energy: -0.983 local terms energy: -372.653341 where: bonds (distance) C4'-P energy: -68.829 bonds (distance) P-C4' energy: -66.153 flat angles C4'-P-C4' energy: -93.429 flat angles P-C4'-P energy: -58.518 tors. eta vs tors. theta energy: -85.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -742.019577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.019577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.019577 (E_RNA) where: Base-Base interactions energy: -409.994 where: short stacking energy: -202.278 Base-Backbone interact. energy: -3.170 local terms energy: -328.855457 where: bonds (distance) C4'-P energy: -80.777 bonds (distance) P-C4' energy: -97.857 flat angles C4'-P-C4' energy: -60.345 flat angles P-C4'-P energy: -56.070 tors. eta vs tors. theta energy: -33.807 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: 10 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -360.916791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.916791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.916791 (E_RNA) where: Base-Base interactions energy: -148.806 where: short stacking energy: -96.450 Base-Backbone interact. energy: 5.800 local terms energy: -217.910136 where: bonds (distance) C4'-P energy: -69.286 bonds (distance) P-C4' energy: -75.353 flat angles C4'-P-C4' energy: -67.436 flat angles P-C4'-P energy: -30.298 tors. eta vs tors. theta energy: 24.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1839.575755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.575755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.575755 (E_RNA) where: Base-Base interactions energy: -1294.874 where: short stacking energy: -523.159 Base-Backbone interact. energy: -0.273 local terms energy: -544.428602 where: bonds (distance) C4'-P energy: -96.208 bonds (distance) P-C4' energy: -96.567 flat angles C4'-P-C4' energy: -109.560 flat angles P-C4'-P energy: -84.493 tors. eta vs tors. theta energy: -157.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1742.075680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.075680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.075680 (E_RNA) where: Base-Base interactions energy: -1228.055 where: short stacking energy: -463.959 Base-Backbone interact. energy: -0.289 local terms energy: -513.731564 where: bonds (distance) C4'-P energy: -95.624 bonds (distance) P-C4' energy: -95.619 flat angles C4'-P-C4' energy: -110.718 flat angles P-C4'-P energy: -74.230 tors. eta vs tors. theta energy: -137.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1647.826735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.826735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.826735 (E_RNA) where: Base-Base interactions energy: -1142.276 where: short stacking energy: -477.044 Base-Backbone interact. energy: 1.710 local terms energy: -507.260980 where: bonds (distance) C4'-P energy: -86.473 bonds (distance) P-C4' energy: -87.273 flat angles C4'-P-C4' energy: -109.386 flat angles P-C4'-P energy: -79.906 tors. eta vs tors. theta energy: -144.223 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: 4 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1591.356292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.356292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.356292 (E_RNA) where: Base-Base interactions energy: -1096.514 where: short stacking energy: -434.036 Base-Backbone interact. energy: -1.712 local terms energy: -493.130797 where: bonds (distance) C4'-P energy: -85.846 bonds (distance) P-C4' energy: -90.297 flat angles C4'-P-C4' energy: -101.954 flat angles P-C4'-P energy: -76.635 tors. eta vs tors. theta energy: -138.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1437.121624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.121624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.121624 (E_RNA) where: Base-Base interactions energy: -997.078 where: short stacking energy: -410.851 Base-Backbone interact. energy: -0.160 local terms energy: -439.883680 where: bonds (distance) C4'-P energy: -90.023 bonds (distance) P-C4' energy: -79.225 flat angles C4'-P-C4' energy: -96.567 flat angles P-C4'-P energy: -56.029 tors. eta vs tors. theta energy: -118.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1364.870898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.870898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.870898 (E_RNA) where: Base-Base interactions energy: -946.127 where: short stacking energy: -391.625 Base-Backbone interact. energy: -1.261 local terms energy: -417.483201 where: bonds (distance) C4'-P energy: -76.986 bonds (distance) P-C4' energy: -80.296 flat angles C4'-P-C4' energy: -93.307 flat angles P-C4'-P energy: -57.973 tors. eta vs tors. theta energy: -108.921 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: 9 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1253.162103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.162103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.162103 (E_RNA) where: Base-Base interactions energy: -840.303 where: short stacking energy: -347.268 Base-Backbone interact. energy: 0.933 local terms energy: -413.791757 where: bonds (distance) C4'-P energy: -81.463 bonds (distance) P-C4' energy: -80.935 flat angles C4'-P-C4' energy: -91.588 flat angles P-C4'-P energy: -68.261 tors. eta vs tors. theta energy: -91.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1122.179696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.179696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.179696 (E_RNA) where: Base-Base interactions energy: -734.656 where: short stacking energy: -321.454 Base-Backbone interact. energy: 0.056 local terms energy: -387.580216 where: bonds (distance) C4'-P energy: -70.612 bonds (distance) P-C4' energy: -102.760 flat angles C4'-P-C4' energy: -77.575 flat angles P-C4'-P energy: -55.083 tors. eta vs tors. theta energy: -81.551 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: 7 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -734.106006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.106006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.106006 (E_RNA) where: Base-Base interactions energy: -423.322 where: short stacking energy: -199.079 Base-Backbone interact. energy: 0.220 local terms energy: -311.003942 where: bonds (distance) C4'-P energy: -91.167 bonds (distance) P-C4' energy: -86.451 flat angles C4'-P-C4' energy: -74.668 flat angles P-C4'-P energy: -41.448 tors. eta vs tors. theta energy: -17.270 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: 10 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -394.043541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.043541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.043541 (E_RNA) where: Base-Base interactions energy: -128.662 where: short stacking energy: -98.223 Base-Backbone interact. energy: 1.029 local terms energy: -266.410565 where: bonds (distance) C4'-P energy: -87.186 bonds (distance) P-C4' energy: -73.864 flat angles C4'-P-C4' energy: -76.141 flat angles P-C4'-P energy: -32.325 tors. eta vs tors. theta energy: 3.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1857.268261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.268261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.268261 (E_RNA) where: Base-Base interactions energy: -1292.559 where: short stacking energy: -528.958 Base-Backbone interact. energy: -0.001 local terms energy: -564.708335 where: bonds (distance) C4'-P energy: -99.445 bonds (distance) P-C4' energy: -98.549 flat angles C4'-P-C4' energy: -115.916 flat angles P-C4'-P energy: -90.702 tors. eta vs tors. theta energy: -160.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1736.405775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.405775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.405775 (E_RNA) where: Base-Base interactions energy: -1206.016 where: short stacking energy: -484.688 Base-Backbone interact. energy: -0.663 local terms energy: -529.726983 where: bonds (distance) C4'-P energy: -90.704 bonds (distance) P-C4' energy: -98.403 flat angles C4'-P-C4' energy: -112.616 flat angles P-C4'-P energy: -82.077 tors. eta vs tors. theta energy: -145.928 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: 1 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1661.914347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.914347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.914347 (E_RNA) where: Base-Base interactions energy: -1183.592 where: short stacking energy: -470.792 Base-Backbone interact. energy: -3.119 local terms energy: -475.204079 where: bonds (distance) C4'-P energy: -89.020 bonds (distance) P-C4' energy: -85.991 flat angles C4'-P-C4' energy: -96.316 flat angles P-C4'-P energy: -67.665 tors. eta vs tors. theta energy: -136.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1567.099684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.099684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.099684 (E_RNA) where: Base-Base interactions energy: -1105.840 where: short stacking energy: -443.999 Base-Backbone interact. energy: -2.462 local terms energy: -458.797058 where: bonds (distance) C4'-P energy: -91.762 bonds (distance) P-C4' energy: -79.250 flat angles C4'-P-C4' energy: -90.187 flat angles P-C4'-P energy: -68.942 tors. eta vs tors. theta energy: -128.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1465.040668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.040668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.040668 (E_RNA) where: Base-Base interactions energy: -1004.837 where: short stacking energy: -410.868 Base-Backbone interact. energy: 2.054 local terms energy: -462.258137 where: bonds (distance) C4'-P energy: -90.501 bonds (distance) P-C4' energy: -94.076 flat angles C4'-P-C4' energy: -103.506 flat angles P-C4'-P energy: -59.449 tors. eta vs tors. theta energy: -114.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1393.532449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.532449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.532449 (E_RNA) where: Base-Base interactions energy: -987.342 where: short stacking energy: -385.757 Base-Backbone interact. energy: -1.684 local terms energy: -404.506873 where: bonds (distance) C4'-P energy: -89.662 bonds (distance) P-C4' energy: -74.382 flat angles C4'-P-C4' energy: -88.740 flat angles P-C4'-P energy: -57.373 tors. eta vs tors. theta energy: -94.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1235.835438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.835438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.835438 (E_RNA) where: Base-Base interactions energy: -828.590 where: short stacking energy: -345.672 Base-Backbone interact. energy: -1.287 local terms energy: -405.958604 where: bonds (distance) C4'-P energy: -90.094 bonds (distance) P-C4' energy: -80.975 flat angles C4'-P-C4' energy: -88.664 flat angles P-C4'-P energy: -58.203 tors. eta vs tors. theta energy: -88.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1103.873927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.873927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.873927 (E_RNA) where: Base-Base interactions energy: -739.357 where: short stacking energy: -324.796 Base-Backbone interact. energy: -2.535 local terms energy: -361.981876 where: bonds (distance) C4'-P energy: -80.882 bonds (distance) P-C4' energy: -72.127 flat angles C4'-P-C4' energy: -79.073 flat angles P-C4'-P energy: -47.978 tors. eta vs tors. theta energy: -81.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -800.459665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.459665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.459665 (E_RNA) where: Base-Base interactions energy: -455.805 where: short stacking energy: -208.376 Base-Backbone interact. energy: -1.512 local terms energy: -343.142383 where: bonds (distance) C4'-P energy: -81.762 bonds (distance) P-C4' energy: -92.287 flat angles C4'-P-C4' energy: -75.968 flat angles P-C4'-P energy: -57.111 tors. eta vs tors. theta energy: -36.014 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: 10 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -382.838145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.838145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.838145 (E_RNA) where: Base-Base interactions energy: -134.016 where: short stacking energy: -113.514 Base-Backbone interact. energy: 0.361 local terms energy: -249.183221 where: bonds (distance) C4'-P energy: -72.385 bonds (distance) P-C4' energy: -70.796 flat angles C4'-P-C4' energy: -72.872 flat angles P-C4'-P energy: -37.611 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: 3 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1837.068509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.068509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.068509 (E_RNA) where: Base-Base interactions energy: -1289.527 where: short stacking energy: -519.617 Base-Backbone interact. energy: 2.157 local terms energy: -549.697688 where: bonds (distance) C4'-P energy: -96.648 bonds (distance) P-C4' energy: -100.765 flat angles C4'-P-C4' energy: -114.363 flat angles P-C4'-P energy: -80.208 tors. eta vs tors. theta energy: -157.714 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: 8 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1752.856016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.856016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.856016 (E_RNA) where: Base-Base interactions energy: -1217.737 where: short stacking energy: -489.669 Base-Backbone interact. energy: -3.821 local terms energy: -531.298306 where: bonds (distance) C4'-P energy: -93.246 bonds (distance) P-C4' energy: -100.289 flat angles C4'-P-C4' energy: -112.436 flat angles P-C4'-P energy: -74.447 tors. eta vs tors. theta energy: -150.880 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: 1 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1611.769194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.769194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.769194 (E_RNA) where: Base-Base interactions energy: -1138.106 where: short stacking energy: -446.756 Base-Backbone interact. energy: -1.337 local terms energy: -472.325467 where: bonds (distance) C4'-P energy: -89.439 bonds (distance) P-C4' energy: -88.331 flat angles C4'-P-C4' energy: -106.103 flat angles P-C4'-P energy: -71.703 tors. eta vs tors. theta energy: -116.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1588.637216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.637216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.637216 (E_RNA) where: Base-Base interactions energy: -1116.193 where: short stacking energy: -459.359 Base-Backbone interact. energy: -1.678 local terms energy: -470.766036 where: bonds (distance) C4'-P energy: -75.135 bonds (distance) P-C4' energy: -86.947 flat angles C4'-P-C4' energy: -106.319 flat angles P-C4'-P energy: -66.752 tors. eta vs tors. theta energy: -135.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1511.766054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.766054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.766054 (E_RNA) where: Base-Base interactions energy: -1047.469 where: short stacking energy: -418.422 Base-Backbone interact. energy: -1.140 local terms energy: -463.157015 where: bonds (distance) C4'-P energy: -99.839 bonds (distance) P-C4' energy: -85.805 flat angles C4'-P-C4' energy: -92.510 flat angles P-C4'-P energy: -64.529 tors. eta vs tors. theta energy: -120.474 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: 2 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1321.733456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.733456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.733456 (E_RNA) where: Base-Base interactions energy: -907.799 where: short stacking energy: -369.383 Base-Backbone interact. energy: -0.158 local terms energy: -413.776184 where: bonds (distance) C4'-P energy: -82.026 bonds (distance) P-C4' energy: -70.322 flat angles C4'-P-C4' energy: -99.627 flat angles P-C4'-P energy: -64.033 tors. eta vs tors. theta energy: -97.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1215.758947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.758947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.758947 (E_RNA) where: Base-Base interactions energy: -789.980 where: short stacking energy: -333.133 Base-Backbone interact. energy: 3.046 local terms energy: -428.825660 where: bonds (distance) C4'-P energy: -84.003 bonds (distance) P-C4' energy: -81.763 flat angles C4'-P-C4' energy: -97.143 flat angles P-C4'-P energy: -65.975 tors. eta vs tors. theta energy: -99.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1119.339219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.339219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.339219 (E_RNA) where: Base-Base interactions energy: -747.175 where: short stacking energy: -328.035 Base-Backbone interact. energy: 2.461 local terms energy: -374.625135 where: bonds (distance) C4'-P energy: -73.288 bonds (distance) P-C4' energy: -90.996 flat angles C4'-P-C4' energy: -91.420 flat angles P-C4'-P energy: -43.624 tors. eta vs tors. theta energy: -75.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -797.827539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.827539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.827539 (E_RNA) where: Base-Base interactions energy: -453.189 where: short stacking energy: -211.919 Base-Backbone interact. energy: 2.582 local terms energy: -347.220550 where: bonds (distance) C4'-P energy: -94.301 bonds (distance) P-C4' energy: -72.388 flat angles C4'-P-C4' energy: -91.468 flat angles P-C4'-P energy: -41.377 tors. eta vs tors. theta energy: -47.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -394.709202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.709202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.709202 (E_RNA) where: Base-Base interactions energy: -153.916 where: short stacking energy: -106.465 Base-Backbone interact. energy: 2.436 local terms energy: -243.229897 where: bonds (distance) C4'-P energy: -86.554 bonds (distance) P-C4' energy: -81.449 flat angles C4'-P-C4' energy: -49.621 flat angles P-C4'-P energy: -47.310 tors. eta vs tors. theta energy: 21.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1833.459393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.459393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.459393 (E_RNA) where: Base-Base interactions energy: -1285.383 where: short stacking energy: -536.276 Base-Backbone interact. energy: 0.185 local terms energy: -548.261650 where: bonds (distance) C4'-P energy: -89.176 bonds (distance) P-C4' energy: -99.622 flat angles C4'-P-C4' energy: -117.720 flat angles P-C4'-P energy: -77.695 tors. eta vs tors. theta energy: -164.049 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: 8 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1727.677480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.677480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.677480 (E_RNA) where: Base-Base interactions energy: -1214.698 where: short stacking energy: -480.736 Base-Backbone interact. energy: -1.789 local terms energy: -511.190612 where: bonds (distance) C4'-P energy: -82.446 bonds (distance) P-C4' energy: -98.077 flat angles C4'-P-C4' energy: -111.949 flat angles P-C4'-P energy: -68.005 tors. eta vs tors. theta energy: -150.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1634.487784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.487784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.487784 (E_RNA) where: Base-Base interactions energy: -1129.669 where: short stacking energy: -453.713 Base-Backbone interact. energy: -2.065 local terms energy: -502.753541 where: bonds (distance) C4'-P energy: -88.971 bonds (distance) P-C4' energy: -89.805 flat angles C4'-P-C4' energy: -112.484 flat angles P-C4'-P energy: -77.450 tors. eta vs tors. theta energy: -134.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1508.849172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.849172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.849172 (E_RNA) where: Base-Base interactions energy: -1026.337 where: short stacking energy: -421.332 Base-Backbone interact. energy: -1.137 local terms energy: -481.375354 where: bonds (distance) C4'-P energy: -84.485 bonds (distance) P-C4' energy: -98.119 flat angles C4'-P-C4' energy: -108.834 flat angles P-C4'-P energy: -72.357 tors. eta vs tors. theta energy: -117.580 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: 4 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1557.484757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.484757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.484757 (E_RNA) where: Base-Base interactions energy: -1092.497 where: short stacking energy: -422.363 Base-Backbone interact. energy: -1.134 local terms energy: -463.853476 where: bonds (distance) C4'-P energy: -84.579 bonds (distance) P-C4' energy: -91.294 flat angles C4'-P-C4' energy: -99.000 flat angles P-C4'-P energy: -62.280 tors. eta vs tors. theta energy: -126.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1334.549366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.549366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.549366 (E_RNA) where: Base-Base interactions energy: -911.114 where: short stacking energy: -391.702 Base-Backbone interact. energy: -1.165 local terms energy: -422.270370 where: bonds (distance) C4'-P energy: -89.131 bonds (distance) P-C4' energy: -78.525 flat angles C4'-P-C4' energy: -94.897 flat angles P-C4'-P energy: -58.520 tors. eta vs tors. theta energy: -101.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1241.573856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.573856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.573856 (E_RNA) where: Base-Base interactions energy: -838.578 where: short stacking energy: -359.616 Base-Backbone interact. energy: 0.108 local terms energy: -403.103333 where: bonds (distance) C4'-P energy: -81.185 bonds (distance) P-C4' energy: -83.817 flat angles C4'-P-C4' energy: -96.224 flat angles P-C4'-P energy: -47.368 tors. eta vs tors. theta energy: -94.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1135.519942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.519942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.519942 (E_RNA) where: Base-Base interactions energy: -761.896 where: short stacking energy: -352.931 Base-Backbone interact. energy: 0.768 local terms energy: -374.392058 where: bonds (distance) C4'-P energy: -65.179 bonds (distance) P-C4' energy: -76.976 flat angles C4'-P-C4' energy: -93.135 flat angles P-C4'-P energy: -65.738 tors. eta vs tors. theta energy: -73.365 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: 9, replica: 7 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -826.616490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.616490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.616490 (E_RNA) where: Base-Base interactions energy: -505.731 where: short stacking energy: -232.108 Base-Backbone interact. energy: 2.324 local terms energy: -323.209421 where: bonds (distance) C4'-P energy: -77.575 bonds (distance) P-C4' energy: -85.327 flat angles C4'-P-C4' energy: -55.586 flat angles P-C4'-P energy: -47.808 tors. eta vs tors. theta energy: -56.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -407.047253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.047253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.047253 (E_RNA) where: Base-Base interactions energy: -134.968 where: short stacking energy: -130.698 Base-Backbone interact. energy: 1.186 local terms energy: -273.265703 where: bonds (distance) C4'-P energy: -82.903 bonds (distance) P-C4' energy: -74.086 flat angles C4'-P-C4' energy: -85.938 flat angles P-C4'-P energy: -26.112 tors. eta vs tors. theta energy: -4.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1844.190222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.190222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.190222 (E_RNA) where: Base-Base interactions energy: -1295.479 where: short stacking energy: -539.770 Base-Backbone interact. energy: -0.913 local terms energy: -547.798785 where: bonds (distance) C4'-P energy: -83.485 bonds (distance) P-C4' energy: -98.036 flat angles C4'-P-C4' energy: -118.530 flat angles P-C4'-P energy: -80.287 tors. eta vs tors. theta energy: -167.461 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: 8 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1741.737382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.737382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.737382 (E_RNA) where: Base-Base interactions energy: -1217.856 where: short stacking energy: -497.536 Base-Backbone interact. energy: -1.767 local terms energy: -522.114319 where: bonds (distance) C4'-P energy: -94.070 bonds (distance) P-C4' energy: -94.799 flat angles C4'-P-C4' energy: -104.864 flat angles P-C4'-P energy: -74.779 tors. eta vs tors. theta energy: -153.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1611.910521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.910521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.910521 (E_RNA) where: Base-Base interactions energy: -1112.632 where: short stacking energy: -441.325 Base-Backbone interact. energy: -1.238 local terms energy: -498.040399 where: bonds (distance) C4'-P energy: -78.997 bonds (distance) P-C4' energy: -105.707 flat angles C4'-P-C4' energy: -104.224 flat angles P-C4'-P energy: -80.330 tors. eta vs tors. theta energy: -128.782 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: 110 Temperature: 1.050000 Total energy: -1525.028426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.028426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.028426 (E_RNA) where: Base-Base interactions energy: -1043.614 where: short stacking energy: -415.835 Base-Backbone interact. energy: -0.514 local terms energy: -480.900689 where: bonds (distance) C4'-P energy: -99.712 bonds (distance) P-C4' energy: -92.271 flat angles C4'-P-C4' energy: -102.624 flat angles P-C4'-P energy: -62.481 tors. eta vs tors. theta energy: -123.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1528.648877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.648877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.648877 (E_RNA) where: Base-Base interactions energy: -1086.113 where: short stacking energy: -456.110 Base-Backbone interact. energy: 0.909 local terms energy: -443.445147 where: bonds (distance) C4'-P energy: -82.467 bonds (distance) P-C4' energy: -70.324 flat angles C4'-P-C4' energy: -92.360 flat angles P-C4'-P energy: -73.421 tors. eta vs tors. theta energy: -124.872 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: 2 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1322.055994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.055994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.055994 (E_RNA) where: Base-Base interactions energy: -875.973 where: short stacking energy: -371.943 Base-Backbone interact. energy: -0.262 local terms energy: -445.820057 where: bonds (distance) C4'-P energy: -85.968 bonds (distance) P-C4' energy: -88.179 flat angles C4'-P-C4' energy: -98.916 flat angles P-C4'-P energy: -66.708 tors. eta vs tors. theta energy: -106.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1221.185125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.185125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.185125 (E_RNA) where: Base-Base interactions energy: -813.553 where: short stacking energy: -332.723 Base-Backbone interact. energy: -2.442 local terms energy: -405.190179 where: bonds (distance) C4'-P energy: -83.401 bonds (distance) P-C4' energy: -84.586 flat angles C4'-P-C4' energy: -96.028 flat angles P-C4'-P energy: -55.248 tors. eta vs tors. theta energy: -85.927 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: 8, replica: 5 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1125.815597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.815597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.815597 (E_RNA) where: Base-Base interactions energy: -770.799 where: short stacking energy: -314.259 Base-Backbone interact. energy: 7.988 local terms energy: -363.004199 where: bonds (distance) C4'-P energy: -61.354 bonds (distance) P-C4' energy: -69.263 flat angles C4'-P-C4' energy: -89.368 flat angles P-C4'-P energy: -60.685 tors. eta vs tors. theta energy: -82.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -841.058701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.058701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.058701 (E_RNA) where: Base-Base interactions energy: -503.051 where: short stacking energy: -253.317 Base-Backbone interact. energy: 0.155 local terms energy: -338.163586 where: bonds (distance) C4'-P energy: -71.999 bonds (distance) P-C4' energy: -90.618 flat angles C4'-P-C4' energy: -78.177 flat angles P-C4'-P energy: -54.672 tors. eta vs tors. theta energy: -42.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -386.598927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.598927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.598927 (E_RNA) where: Base-Base interactions energy: -133.555 where: short stacking energy: -107.148 Base-Backbone interact. energy: 3.890 local terms energy: -256.933398 where: bonds (distance) C4'-P energy: -85.811 bonds (distance) P-C4' energy: -79.667 flat angles C4'-P-C4' energy: -65.177 flat angles P-C4'-P energy: -48.258 tors. eta vs tors. theta energy: 21.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1842.114784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.114784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.114784 (E_RNA) where: Base-Base interactions energy: -1292.106 where: short stacking energy: -522.847 Base-Backbone interact. energy: 2.345 local terms energy: -552.354157 where: bonds (distance) C4'-P energy: -97.663 bonds (distance) P-C4' energy: -91.200 flat angles C4'-P-C4' energy: -113.279 flat angles P-C4'-P energy: -86.666 tors. eta vs tors. theta energy: -163.547 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: 2, replica: 8 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1758.371618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.371618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.371618 (E_RNA) where: Base-Base interactions energy: -1222.389 where: short stacking energy: -493.879 Base-Backbone interact. energy: -2.525 local terms energy: -533.458145 where: bonds (distance) C4'-P energy: -97.088 bonds (distance) P-C4' energy: -91.428 flat angles C4'-P-C4' energy: -115.616 flat angles P-C4'-P energy: -84.021 tors. eta vs tors. theta energy: -145.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1613.482229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.482229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.482229 (E_RNA) where: Base-Base interactions energy: -1125.843 where: short stacking energy: -444.078 Base-Backbone interact. energy: -1.261 local terms energy: -486.378757 where: bonds (distance) C4'-P energy: -92.259 bonds (distance) P-C4' energy: -85.108 flat angles C4'-P-C4' energy: -110.522 flat angles P-C4'-P energy: -67.783 tors. eta vs tors. theta energy: -130.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1511.324148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.324148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.324148 (E_RNA) where: Base-Base interactions energy: -1042.312 where: short stacking energy: -428.253 Base-Backbone interact. energy: 0.783 local terms energy: -469.795551 where: bonds (distance) C4'-P energy: -83.005 bonds (distance) P-C4' energy: -82.136 flat angles C4'-P-C4' energy: -105.530 flat angles P-C4'-P energy: -66.035 tors. eta vs tors. theta energy: -133.089 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: 4 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1566.801727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.801727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.801727 (E_RNA) where: Base-Base interactions energy: -1105.872 where: short stacking energy: -437.341 Base-Backbone interact. energy: -1.905 local terms energy: -459.025017 where: bonds (distance) C4'-P energy: -86.315 bonds (distance) P-C4' energy: -91.222 flat angles C4'-P-C4' energy: -99.665 flat angles P-C4'-P energy: -54.896 tors. eta vs tors. theta energy: -126.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1362.363926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.363926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.363926 (E_RNA) where: Base-Base interactions energy: -902.559 where: short stacking energy: -376.861 Base-Backbone interact. energy: -0.674 local terms energy: -459.130307 where: bonds (distance) C4'-P energy: -97.773 bonds (distance) P-C4' energy: -88.225 flat angles C4'-P-C4' energy: -95.947 flat angles P-C4'-P energy: -67.951 tors. eta vs tors. theta energy: -109.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1245.517050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.517050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.517050 (E_RNA) where: Base-Base interactions energy: -832.763 where: short stacking energy: -335.535 Base-Backbone interact. energy: -4.613 local terms energy: -408.140249 where: bonds (distance) C4'-P energy: -83.182 bonds (distance) P-C4' energy: -74.868 flat angles C4'-P-C4' energy: -96.872 flat angles P-C4'-P energy: -61.700 tors. eta vs tors. theta energy: -91.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1084.313452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.313452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.313452 (E_RNA) where: Base-Base interactions energy: -709.020 where: short stacking energy: -308.639 Base-Backbone interact. energy: 0.271 local terms energy: -375.564786 where: bonds (distance) C4'-P energy: -79.933 bonds (distance) P-C4' energy: -91.334 flat angles C4'-P-C4' energy: -74.253 flat angles P-C4'-P energy: -58.428 tors. eta vs tors. theta energy: -71.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -806.400004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.400004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.400004 (E_RNA) where: Base-Base interactions energy: -489.354 where: short stacking energy: -228.662 Base-Backbone interact. energy: 0.273 local terms energy: -317.318986 where: bonds (distance) C4'-P energy: -65.085 bonds (distance) P-C4' energy: -82.557 flat angles C4'-P-C4' energy: -90.315 flat angles P-C4'-P energy: -47.213 tors. eta vs tors. theta energy: -32.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -417.379383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.379383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.379383 (E_RNA) where: Base-Base interactions energy: -183.709 where: short stacking energy: -121.627 Base-Backbone interact. energy: -1.173 local terms energy: -232.497269 where: bonds (distance) C4'-P energy: -63.366 bonds (distance) P-C4' energy: -74.056 flat angles C4'-P-C4' energy: -79.587 flat angles P-C4'-P energy: -27.878 tors. eta vs tors. theta energy: 12.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1846.992954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.992954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.992954 (E_RNA) where: Base-Base interactions energy: -1295.051 where: short stacking energy: -528.320 Base-Backbone interact. energy: -0.209 local terms energy: -551.733757 where: bonds (distance) C4'-P energy: -100.592 bonds (distance) P-C4' energy: -95.977 flat angles C4'-P-C4' energy: -119.212 flat angles P-C4'-P energy: -75.557 tors. eta vs tors. theta energy: -160.396 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: 8 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1751.043892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.043892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.043892 (E_RNA) where: Base-Base interactions energy: -1216.764 where: short stacking energy: -475.649 Base-Backbone interact. energy: -1.756 local terms energy: -532.524016 where: bonds (distance) C4'-P energy: -95.583 bonds (distance) P-C4' energy: -101.121 flat angles C4'-P-C4' energy: -114.663 flat angles P-C4'-P energy: -73.698 tors. eta vs tors. theta energy: -147.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1627.804829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.804829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.804829 (E_RNA) where: Base-Base interactions energy: -1116.996 where: short stacking energy: -451.744 Base-Backbone interact. energy: -1.972 local terms energy: -508.836888 where: bonds (distance) C4'-P energy: -92.129 bonds (distance) P-C4' energy: -95.309 flat angles C4'-P-C4' energy: -109.114 flat angles P-C4'-P energy: -73.462 tors. eta vs tors. theta energy: -138.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1491.810623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.810623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.810623 (E_RNA) where: Base-Base interactions energy: -1044.988 where: short stacking energy: -436.965 Base-Backbone interact. energy: -0.403 local terms energy: -446.419195 where: bonds (distance) C4'-P energy: -81.658 bonds (distance) P-C4' energy: -83.189 flat angles C4'-P-C4' energy: -94.969 flat angles P-C4'-P energy: -69.084 tors. eta vs tors. theta energy: -117.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1551.580959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.580959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.580959 (E_RNA) where: Base-Base interactions energy: -1090.560 where: short stacking energy: -423.363 Base-Backbone interact. energy: 2.365 local terms energy: -463.386268 where: bonds (distance) C4'-P energy: -75.976 bonds (distance) P-C4' energy: -92.294 flat angles C4'-P-C4' energy: -93.002 flat angles P-C4'-P energy: -71.633 tors. eta vs tors. theta energy: -130.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1329.213093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.213093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.213093 (E_RNA) where: Base-Base interactions energy: -933.823 where: short stacking energy: -385.069 Base-Backbone interact. energy: -1.330 local terms energy: -394.060664 where: bonds (distance) C4'-P energy: -81.432 bonds (distance) P-C4' energy: -68.506 flat angles C4'-P-C4' energy: -79.238 flat angles P-C4'-P energy: -64.655 tors. eta vs tors. theta energy: -100.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1232.644243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.644243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.644243 (E_RNA) where: Base-Base interactions energy: -834.933 where: short stacking energy: -336.371 Base-Backbone interact. energy: 0.472 local terms energy: -398.183503 where: bonds (distance) C4'-P energy: -72.149 bonds (distance) P-C4' energy: -91.741 flat angles C4'-P-C4' energy: -90.152 flat angles P-C4'-P energy: -54.281 tors. eta vs tors. theta energy: -89.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1065.882093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.882093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.882093 (E_RNA) where: Base-Base interactions energy: -687.717 where: short stacking energy: -291.171 Base-Backbone interact. energy: -2.866 local terms energy: -375.298690 where: bonds (distance) C4'-P energy: -57.884 bonds (distance) P-C4' energy: -83.134 flat angles C4'-P-C4' energy: -106.545 flat angles P-C4'-P energy: -62.414 tors. eta vs tors. theta energy: -65.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -832.059027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.059027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.059027 (E_RNA) where: Base-Base interactions energy: -507.958 where: short stacking energy: -244.141 Base-Backbone interact. energy: 1.393 local terms energy: -325.494371 where: bonds (distance) C4'-P energy: -77.682 bonds (distance) P-C4' energy: -89.783 flat angles C4'-P-C4' energy: -77.776 flat angles P-C4'-P energy: -30.158 tors. eta vs tors. theta energy: -50.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -397.491356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.491356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.491356 (E_RNA) where: Base-Base interactions energy: -145.497 where: short stacking energy: -127.963 Base-Backbone interact. energy: 2.345 local terms energy: -254.339506 where: bonds (distance) C4'-P energy: -73.853 bonds (distance) P-C4' energy: -84.072 flat angles C4'-P-C4' energy: -82.431 flat angles P-C4'-P energy: -25.985 tors. eta vs tors. theta energy: 12.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1847.263418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.263418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.263418 (E_RNA) where: Base-Base interactions energy: -1311.367 where: short stacking energy: -528.786 Base-Backbone interact. energy: 4.684 local terms energy: -540.579844 where: bonds (distance) C4'-P energy: -92.527 bonds (distance) P-C4' energy: -101.452 flat angles C4'-P-C4' energy: -104.238 flat angles P-C4'-P energy: -78.161 tors. eta vs tors. theta energy: -164.201 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: 8 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1714.972022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.972022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.972022 (E_RNA) where: Base-Base interactions energy: -1201.141 where: short stacking energy: -479.676 Base-Backbone interact. energy: -1.655 local terms energy: -512.176335 where: bonds (distance) C4'-P energy: -95.926 bonds (distance) P-C4' energy: -93.617 flat angles C4'-P-C4' energy: -101.141 flat angles P-C4'-P energy: -75.885 tors. eta vs tors. theta energy: -145.607 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: 113 Temperature: 1.000000 Total energy: -1611.288645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.288645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.288645 (E_RNA) where: Base-Base interactions energy: -1107.061 where: short stacking energy: -449.549 Base-Backbone interact. energy: -0.840 local terms energy: -503.387945 where: bonds (distance) C4'-P energy: -89.062 bonds (distance) P-C4' energy: -97.728 flat angles C4'-P-C4' energy: -107.632 flat angles P-C4'-P energy: -78.984 tors. eta vs tors. theta energy: -129.982 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: 4, replica: 4 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1574.067478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.067478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.067478 (E_RNA) where: Base-Base interactions energy: -1091.073 where: short stacking energy: -435.151 Base-Backbone interact. energy: -2.650 local terms energy: -480.344211 where: bonds (distance) C4'-P energy: -84.605 bonds (distance) P-C4' energy: -88.522 flat angles C4'-P-C4' energy: -101.453 flat angles P-C4'-P energy: -76.493 tors. eta vs tors. theta energy: -129.273 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: 6 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1459.311346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.311346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.311346 (E_RNA) where: Base-Base interactions energy: -1007.565 where: short stacking energy: -419.508 Base-Backbone interact. energy: -0.369 local terms energy: -451.377249 where: bonds (distance) C4'-P energy: -79.515 bonds (distance) P-C4' energy: -89.248 flat angles C4'-P-C4' energy: -94.108 flat angles P-C4'-P energy: -70.660 tors. eta vs tors. theta energy: -117.847 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: 6, replica: 2 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1385.005840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.005840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.005840 (E_RNA) where: Base-Base interactions energy: -936.562 where: short stacking energy: -394.351 Base-Backbone interact. energy: -1.482 local terms energy: -446.961388 where: bonds (distance) C4'-P energy: -91.122 bonds (distance) P-C4' energy: -86.705 flat angles C4'-P-C4' energy: -100.974 flat angles P-C4'-P energy: -55.409 tors. eta vs tors. theta energy: -112.752 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: 7, replica: 9 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1233.715860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.715860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.715860 (E_RNA) where: Base-Base interactions energy: -823.468 where: short stacking energy: -333.690 Base-Backbone interact. energy: -0.057 local terms energy: -410.190129 where: bonds (distance) C4'-P energy: -81.985 bonds (distance) P-C4' energy: -87.830 flat angles C4'-P-C4' energy: -92.300 flat angles P-C4'-P energy: -56.144 tors. eta vs tors. theta energy: -91.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1132.216652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.216652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.216652 (E_RNA) where: Base-Base interactions energy: -762.926 where: short stacking energy: -322.514 Base-Backbone interact. energy: -1.472 local terms energy: -367.819104 where: bonds (distance) C4'-P energy: -58.128 bonds (distance) P-C4' energy: -73.286 flat angles C4'-P-C4' energy: -82.244 flat angles P-C4'-P energy: -64.427 tors. eta vs tors. theta energy: -89.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -837.805192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.805192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.805192 (E_RNA) where: Base-Base interactions energy: -517.870 where: short stacking energy: -247.698 Base-Backbone interact. energy: 0.565 local terms energy: -320.500274 where: bonds (distance) C4'-P energy: -61.237 bonds (distance) P-C4' energy: -80.404 flat angles C4'-P-C4' energy: -85.443 flat angles P-C4'-P energy: -63.131 tors. eta vs tors. theta energy: -30.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -373.090706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.090706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.090706 (E_RNA) where: Base-Base interactions energy: -105.421 where: short stacking energy: -104.948 Base-Backbone interact. energy: 1.672 local terms energy: -269.341795 where: bonds (distance) C4'-P energy: -87.229 bonds (distance) P-C4' energy: -79.842 flat angles C4'-P-C4' energy: -63.192 flat angles P-C4'-P energy: -46.334 tors. eta vs tors. theta energy: 7.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1848.612406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.612406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.612406 (E_RNA) where: Base-Base interactions energy: -1296.480 where: short stacking energy: -517.930 Base-Backbone interact. energy: -0.490 local terms energy: -551.642424 where: bonds (distance) C4'-P energy: -104.191 bonds (distance) P-C4' energy: -92.362 flat angles C4'-P-C4' energy: -116.708 flat angles P-C4'-P energy: -73.098 tors. eta vs tors. theta energy: -165.284 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: 8 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1758.366566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.366566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.366566 (E_RNA) where: Base-Base interactions energy: -1229.868 where: short stacking energy: -504.354 Base-Backbone interact. energy: -0.382 local terms energy: -528.116154 where: bonds (distance) C4'-P energy: -91.676 bonds (distance) P-C4' energy: -98.232 flat angles C4'-P-C4' energy: -107.044 flat angles P-C4'-P energy: -81.974 tors. eta vs tors. theta energy: -149.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1600.441541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.441541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.441541 (E_RNA) where: Base-Base interactions energy: -1100.110 where: short stacking energy: -459.094 Base-Backbone interact. energy: -0.379 local terms energy: -499.951865 where: bonds (distance) C4'-P energy: -93.795 bonds (distance) P-C4' energy: -84.769 flat angles C4'-P-C4' energy: -110.996 flat angles P-C4'-P energy: -79.554 tors. eta vs tors. theta energy: -130.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1540.959539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.959539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.959539 (E_RNA) where: Base-Base interactions energy: -1070.050 where: short stacking energy: -455.430 Base-Backbone interact. energy: 0.175 local terms energy: -471.084591 where: bonds (distance) C4'-P energy: -71.951 bonds (distance) P-C4' energy: -90.640 flat angles C4'-P-C4' energy: -108.287 flat angles P-C4'-P energy: -65.718 tors. eta vs tors. theta energy: -134.488 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: 114 Temperature: 1.100000 Total energy: -1455.656223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.656223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.656223 (E_RNA) where: Base-Base interactions energy: -1010.852 where: short stacking energy: -417.305 Base-Backbone interact. energy: 0.925 local terms energy: -445.729887 where: bonds (distance) C4'-P energy: -80.426 bonds (distance) P-C4' energy: -94.069 flat angles C4'-P-C4' energy: -94.165 flat angles P-C4'-P energy: -62.052 tors. eta vs tors. theta energy: -115.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1356.032923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.032923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.032923 (E_RNA) where: Base-Base interactions energy: -936.163 where: short stacking energy: -387.835 Base-Backbone interact. energy: -3.237 local terms energy: -416.632424 where: bonds (distance) C4'-P energy: -68.810 bonds (distance) P-C4' energy: -78.794 flat angles C4'-P-C4' energy: -106.389 flat angles P-C4'-P energy: -63.045 tors. eta vs tors. theta energy: -99.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1231.691566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.691566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.691566 (E_RNA) where: Base-Base interactions energy: -832.791 where: short stacking energy: -349.388 Base-Backbone interact. energy: 0.231 local terms energy: -399.131693 where: bonds (distance) C4'-P energy: -83.283 bonds (distance) P-C4' energy: -76.321 flat angles C4'-P-C4' energy: -86.460 flat angles P-C4'-P energy: -71.397 tors. eta vs tors. theta energy: -81.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1161.014715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.014715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.014715 (E_RNA) where: Base-Base interactions energy: -764.377 where: short stacking energy: -326.335 Base-Backbone interact. energy: -2.243 local terms energy: -394.394508 where: bonds (distance) C4'-P energy: -75.190 bonds (distance) P-C4' energy: -78.427 flat angles C4'-P-C4' energy: -98.356 flat angles P-C4'-P energy: -61.106 tors. eta vs tors. theta energy: -81.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -778.990993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.990993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.990993 (E_RNA) where: Base-Base interactions energy: -460.341 where: short stacking energy: -211.219 Base-Backbone interact. energy: 0.143 local terms energy: -318.792737 where: bonds (distance) C4'-P energy: -75.307 bonds (distance) P-C4' energy: -91.679 flat angles C4'-P-C4' energy: -70.769 flat angles P-C4'-P energy: -51.786 tors. eta vs tors. theta energy: -29.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -402.839459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.839459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.839459 (E_RNA) where: Base-Base interactions energy: -158.874 where: short stacking energy: -118.198 Base-Backbone interact. energy: -1.834 local terms energy: -242.130884 where: bonds (distance) C4'-P energy: -72.289 bonds (distance) P-C4' energy: -79.547 flat angles C4'-P-C4' energy: -50.147 flat angles P-C4'-P energy: -40.880 tors. eta vs tors. theta energy: 0.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1835.019476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.019476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.019476 (E_RNA) where: Base-Base interactions energy: -1288.740 where: short stacking energy: -516.455 Base-Backbone interact. energy: 0.384 local terms energy: -546.663993 where: bonds (distance) C4'-P energy: -92.121 bonds (distance) P-C4' energy: -103.702 flat angles C4'-P-C4' energy: -112.975 flat angles P-C4'-P energy: -73.771 tors. eta vs tors. theta energy: -164.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1749.618465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.618465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.618465 (E_RNA) where: Base-Base interactions energy: -1226.923 where: short stacking energy: -511.436 Base-Backbone interact. energy: -0.459 local terms energy: -522.237003 where: bonds (distance) C4'-P energy: -89.117 bonds (distance) P-C4' energy: -102.601 flat angles C4'-P-C4' energy: -107.156 flat angles P-C4'-P energy: -73.895 tors. eta vs tors. theta energy: -149.467 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: 1 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1587.542812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.542812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.542812 (E_RNA) where: Base-Base interactions energy: -1100.013 where: short stacking energy: -447.986 Base-Backbone interact. energy: 2.516 local terms energy: -490.045775 where: bonds (distance) C4'-P energy: -91.278 bonds (distance) P-C4' energy: -93.920 flat angles C4'-P-C4' energy: -106.867 flat angles P-C4'-P energy: -74.147 tors. eta vs tors. theta energy: -123.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1558.821968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.821968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.821968 (E_RNA) where: Base-Base interactions energy: -1124.327 where: short stacking energy: -457.952 Base-Backbone interact. energy: -1.886 local terms energy: -432.608679 where: bonds (distance) C4'-P energy: -78.675 bonds (distance) P-C4' energy: -72.335 flat angles C4'-P-C4' energy: -99.700 flat angles P-C4'-P energy: -55.086 tors. eta vs tors. theta energy: -126.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1459.742171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.742171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.742171 (E_RNA) where: Base-Base interactions energy: -995.105 where: short stacking energy: -411.111 Base-Backbone interact. energy: -0.869 local terms energy: -463.767826 where: bonds (distance) C4'-P energy: -88.240 bonds (distance) P-C4' energy: -93.308 flat angles C4'-P-C4' energy: -96.269 flat angles P-C4'-P energy: -63.975 tors. eta vs tors. theta energy: -121.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1372.675135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.675135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.675135 (E_RNA) where: Base-Base interactions energy: -937.533 where: short stacking energy: -376.840 Base-Backbone interact. energy: -1.191 local terms energy: -433.950759 where: bonds (distance) C4'-P energy: -97.781 bonds (distance) P-C4' energy: -81.937 flat angles C4'-P-C4' energy: -91.883 flat angles P-C4'-P energy: -55.438 tors. eta vs tors. theta energy: -106.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1220.547736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.547736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.547736 (E_RNA) where: Base-Base interactions energy: -836.928 where: short stacking energy: -360.922 Base-Backbone interact. energy: -1.551 local terms energy: -382.069431 where: bonds (distance) C4'-P energy: -71.437 bonds (distance) P-C4' energy: -72.225 flat angles C4'-P-C4' energy: -84.245 flat angles P-C4'-P energy: -57.292 tors. eta vs tors. theta energy: -96.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1173.827340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.827340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.827340 (E_RNA) where: Base-Base interactions energy: -780.566 where: short stacking energy: -321.790 Base-Backbone interact. energy: -0.978 local terms energy: -392.283139 where: bonds (distance) C4'-P energy: -70.326 bonds (distance) P-C4' energy: -92.128 flat angles C4'-P-C4' energy: -102.626 flat angles P-C4'-P energy: -52.297 tors. eta vs tors. theta energy: -74.906 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: 7 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -787.076404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.076404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.076404 (E_RNA) where: Base-Base interactions energy: -476.427 where: short stacking energy: -218.522 Base-Backbone interact. energy: -0.190 local terms energy: -310.459012 where: bonds (distance) C4'-P energy: -73.029 bonds (distance) P-C4' energy: -89.075 flat angles C4'-P-C4' energy: -68.286 flat angles P-C4'-P energy: -37.784 tors. eta vs tors. theta energy: -42.284 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: 10 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -373.486407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.486407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.486407 (E_RNA) where: Base-Base interactions energy: -149.431 where: short stacking energy: -119.490 Base-Backbone interact. energy: 1.213 local terms energy: -225.268365 where: bonds (distance) C4'-P energy: -68.392 bonds (distance) P-C4' energy: -64.927 flat angles C4'-P-C4' energy: -74.098 flat angles P-C4'-P energy: -28.307 tors. eta vs tors. theta energy: 10.455 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: 3 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1829.748564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.748564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.748564 (E_RNA) where: Base-Base interactions energy: -1284.795 where: short stacking energy: -521.487 Base-Backbone interact. energy: 0.327 local terms energy: -545.280996 where: bonds (distance) C4'-P energy: -93.386 bonds (distance) P-C4' energy: -97.672 flat angles C4'-P-C4' energy: -110.968 flat angles P-C4'-P energy: -79.987 tors. eta vs tors. theta energy: -163.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1755.520541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.520541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.520541 (E_RNA) where: Base-Base interactions energy: -1225.233 where: short stacking energy: -495.424 Base-Backbone interact. energy: 0.245 local terms energy: -530.532284 where: bonds (distance) C4'-P energy: -89.535 bonds (distance) P-C4' energy: -96.728 flat angles C4'-P-C4' energy: -113.248 flat angles P-C4'-P energy: -82.477 tors. eta vs tors. theta energy: -148.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1617.603766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.603766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.603766 (E_RNA) where: Base-Base interactions energy: -1123.401 where: short stacking energy: -454.645 Base-Backbone interact. energy: -1.956 local terms energy: -492.247040 where: bonds (distance) C4'-P energy: -86.156 bonds (distance) P-C4' energy: -83.059 flat angles C4'-P-C4' energy: -103.253 flat angles P-C4'-P energy: -78.619 tors. eta vs tors. theta energy: -141.160 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: 116 Temperature: 1.050000 Total energy: -1593.468838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.468838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.468838 (E_RNA) where: Base-Base interactions energy: -1099.995 where: short stacking energy: -453.674 Base-Backbone interact. energy: 0.035 local terms energy: -493.508994 where: bonds (distance) C4'-P energy: -84.254 bonds (distance) P-C4' energy: -95.262 flat angles C4'-P-C4' energy: -108.221 flat angles P-C4'-P energy: -67.872 tors. eta vs tors. theta energy: -137.899 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: 6 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1464.561584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.561584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.561584 (E_RNA) where: Base-Base interactions energy: -1016.736 where: short stacking energy: -405.652 Base-Backbone interact. energy: -0.853 local terms energy: -446.972635 where: bonds (distance) C4'-P energy: -87.675 bonds (distance) P-C4' energy: -91.444 flat angles C4'-P-C4' energy: -85.559 flat angles P-C4'-P energy: -62.492 tors. eta vs tors. theta energy: -119.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1377.144718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.144718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.144718 (E_RNA) where: Base-Base interactions energy: -937.219 where: short stacking energy: -390.130 Base-Backbone interact. energy: 0.605 local terms energy: -440.531280 where: bonds (distance) C4'-P energy: -67.875 bonds (distance) P-C4' energy: -90.747 flat angles C4'-P-C4' energy: -87.101 flat angles P-C4'-P energy: -75.630 tors. eta vs tors. theta energy: -119.179 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: 9 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1273.608281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.608281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.608281 (E_RNA) where: Base-Base interactions energy: -847.423 where: short stacking energy: -357.054 Base-Backbone interact. energy: 0.317 local terms energy: -426.502594 where: bonds (distance) C4'-P energy: -81.073 bonds (distance) P-C4' energy: -98.195 flat angles C4'-P-C4' energy: -91.496 flat angles P-C4'-P energy: -61.446 tors. eta vs tors. theta energy: -94.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1175.196973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.196973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.196973 (E_RNA) where: Base-Base interactions energy: -794.308 where: short stacking energy: -330.496 Base-Backbone interact. energy: 2.320 local terms energy: -383.209345 where: bonds (distance) C4'-P energy: -88.037 bonds (distance) P-C4' energy: -83.724 flat angles C4'-P-C4' energy: -81.289 flat angles P-C4'-P energy: -51.112 tors. eta vs tors. theta energy: -79.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -798.613335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.613335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.613335 (E_RNA) where: Base-Base interactions energy: -471.401 where: short stacking energy: -224.323 Base-Backbone interact. energy: 1.255 local terms energy: -328.467609 where: bonds (distance) C4'-P energy: -92.725 bonds (distance) P-C4' energy: -71.780 flat angles C4'-P-C4' energy: -77.614 flat angles P-C4'-P energy: -53.157 tors. eta vs tors. theta energy: -33.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -370.920195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.920195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.920195 (E_RNA) where: Base-Base interactions energy: -109.306 where: short stacking energy: -94.289 Base-Backbone interact. energy: 0.192 local terms energy: -261.806050 where: bonds (distance) C4'-P energy: -70.484 bonds (distance) P-C4' energy: -102.028 flat angles C4'-P-C4' energy: -68.610 flat angles P-C4'-P energy: -22.300 tors. eta vs tors. theta energy: 1.616 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: 3 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1833.918777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.918777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.918777 (E_RNA) where: Base-Base interactions energy: -1303.969 where: short stacking energy: -515.632 Base-Backbone interact. energy: -0.440 local terms energy: -529.509751 where: bonds (distance) C4'-P energy: -85.218 bonds (distance) P-C4' energy: -90.559 flat angles C4'-P-C4' energy: -108.872 flat angles P-C4'-P energy: -82.552 tors. eta vs tors. theta energy: -162.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1769.080926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.080926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.080926 (E_RNA) where: Base-Base interactions energy: -1237.334 where: short stacking energy: -497.433 Base-Backbone interact. energy: -2.429 local terms energy: -529.317743 where: bonds (distance) C4'-P energy: -94.860 bonds (distance) P-C4' energy: -103.566 flat angles C4'-P-C4' energy: -110.226 flat angles P-C4'-P energy: -72.423 tors. eta vs tors. theta energy: -148.242 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: 4 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1628.777741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.777741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.777741 (E_RNA) where: Base-Base interactions energy: -1110.228 where: short stacking energy: -461.519 Base-Backbone interact. energy: -2.610 local terms energy: -515.939791 where: bonds (distance) C4'-P energy: -86.331 bonds (distance) P-C4' energy: -102.553 flat angles C4'-P-C4' energy: -103.930 flat angles P-C4'-P energy: -83.995 tors. eta vs tors. theta energy: -139.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1589.483122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.483122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.483122 (E_RNA) where: Base-Base interactions energy: -1096.677 where: short stacking energy: -455.419 Base-Backbone interact. energy: 0.134 local terms energy: -492.940303 where: bonds (distance) C4'-P energy: -82.192 bonds (distance) P-C4' energy: -100.353 flat angles C4'-P-C4' energy: -97.488 flat angles P-C4'-P energy: -80.607 tors. eta vs tors. theta energy: -132.300 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: 6 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1464.351875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.351875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.351875 (E_RNA) where: Base-Base interactions energy: -1033.399 where: short stacking energy: -435.495 Base-Backbone interact. energy: -2.149 local terms energy: -428.804200 where: bonds (distance) C4'-P energy: -79.755 bonds (distance) P-C4' energy: -72.693 flat angles C4'-P-C4' energy: -98.479 flat angles P-C4'-P energy: -53.309 tors. eta vs tors. theta energy: -124.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1343.323657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.323657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.323657 (E_RNA) where: Base-Base interactions energy: -933.915 where: short stacking energy: -379.174 Base-Backbone interact. energy: -0.199 local terms energy: -409.210220 where: bonds (distance) C4'-P energy: -70.894 bonds (distance) P-C4' energy: -96.711 flat angles C4'-P-C4' energy: -90.456 flat angles P-C4'-P energy: -54.867 tors. eta vs tors. theta energy: -96.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1262.187226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.187226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.187226 (E_RNA) where: Base-Base interactions energy: -854.396 where: short stacking energy: -351.803 Base-Backbone interact. energy: -1.626 local terms energy: -406.164536 where: bonds (distance) C4'-P energy: -77.245 bonds (distance) P-C4' energy: -67.597 flat angles C4'-P-C4' energy: -98.110 flat angles P-C4'-P energy: -61.543 tors. eta vs tors. theta energy: -101.670 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: 5 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1176.600000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.600000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.600000 (E_RNA) where: Base-Base interactions energy: -768.921 where: short stacking energy: -323.686 Base-Backbone interact. energy: -1.577 local terms energy: -406.102475 where: bonds (distance) C4'-P energy: -83.367 bonds (distance) P-C4' energy: -91.197 flat angles C4'-P-C4' energy: -82.535 flat angles P-C4'-P energy: -69.104 tors. eta vs tors. theta energy: -79.899 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: 7 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -831.927842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.927842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.927842 (E_RNA) where: Base-Base interactions energy: -493.518 where: short stacking energy: -248.032 Base-Backbone interact. energy: 0.235 local terms energy: -338.644514 where: bonds (distance) C4'-P energy: -73.521 bonds (distance) P-C4' energy: -88.098 flat angles C4'-P-C4' energy: -78.399 flat angles P-C4'-P energy: -55.342 tors. eta vs tors. theta energy: -43.284 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: 10 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -381.152792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.152792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.152792 (E_RNA) where: Base-Base interactions energy: -126.968 where: short stacking energy: -104.862 Base-Backbone interact. energy: -0.136 local terms energy: -254.049206 where: bonds (distance) C4'-P energy: -80.877 bonds (distance) P-C4' energy: -77.565 flat angles C4'-P-C4' energy: -69.711 flat angles P-C4'-P energy: -33.679 tors. eta vs tors. theta energy: 7.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1849.047284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.047284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.047284 (E_RNA) where: Base-Base interactions energy: -1314.146 where: short stacking energy: -523.287 Base-Backbone interact. energy: -0.448 local terms energy: -534.453434 where: bonds (distance) C4'-P energy: -92.433 bonds (distance) P-C4' energy: -88.392 flat angles C4'-P-C4' energy: -117.830 flat angles P-C4'-P energy: -75.428 tors. eta vs tors. theta energy: -160.371 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: 8 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1756.414697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.414697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.414697 (E_RNA) where: Base-Base interactions energy: -1247.395 where: short stacking energy: -501.254 Base-Backbone interact. energy: -1.289 local terms energy: -507.730509 where: bonds (distance) C4'-P energy: -93.979 bonds (distance) P-C4' energy: -93.085 flat angles C4'-P-C4' energy: -101.295 flat angles P-C4'-P energy: -73.263 tors. eta vs tors. theta energy: -146.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1617.666052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.666052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.666052 (E_RNA) where: Base-Base interactions energy: -1128.765 where: short stacking energy: -469.506 Base-Backbone interact. energy: -3.006 local terms energy: -485.895329 where: bonds (distance) C4'-P energy: -83.599 bonds (distance) P-C4' energy: -83.299 flat angles C4'-P-C4' energy: -108.692 flat angles P-C4'-P energy: -74.646 tors. eta vs tors. theta energy: -135.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1577.186440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.186440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.186440 (E_RNA) where: Base-Base interactions energy: -1091.793 where: short stacking energy: -438.369 Base-Backbone interact. energy: -0.051 local terms energy: -485.342943 where: bonds (distance) C4'-P energy: -94.856 bonds (distance) P-C4' energy: -86.522 flat angles C4'-P-C4' energy: -103.040 flat angles P-C4'-P energy: -70.417 tors. eta vs tors. theta energy: -130.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1459.831819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.831819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.831819 (E_RNA) where: Base-Base interactions energy: -1001.897 where: short stacking energy: -416.516 Base-Backbone interact. energy: -1.518 local terms energy: -456.417327 where: bonds (distance) C4'-P energy: -90.826 bonds (distance) P-C4' energy: -81.784 flat angles C4'-P-C4' energy: -100.485 flat angles P-C4'-P energy: -68.396 tors. eta vs tors. theta energy: -114.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1370.045678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.045678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.045678 (E_RNA) where: Base-Base interactions energy: -924.037 where: short stacking energy: -373.263 Base-Backbone interact. energy: 0.623 local terms energy: -446.631160 where: bonds (distance) C4'-P energy: -80.566 bonds (distance) P-C4' energy: -88.688 flat angles C4'-P-C4' energy: -106.464 flat angles P-C4'-P energy: -67.599 tors. eta vs tors. theta energy: -103.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1170.967611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.967611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.967611 (E_RNA) where: Base-Base interactions energy: -763.923 where: short stacking energy: -330.747 Base-Backbone interact. energy: 1.222 local terms energy: -408.265851 where: bonds (distance) C4'-P energy: -93.416 bonds (distance) P-C4' energy: -88.718 flat angles C4'-P-C4' energy: -84.434 flat angles P-C4'-P energy: -68.489 tors. eta vs tors. theta energy: -73.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1181.705195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.705195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.705195 (E_RNA) where: Base-Base interactions energy: -784.152 where: short stacking energy: -337.193 Base-Backbone interact. energy: -1.347 local terms energy: -396.206498 where: bonds (distance) C4'-P energy: -80.288 bonds (distance) P-C4' energy: -75.539 flat angles C4'-P-C4' energy: -79.611 flat angles P-C4'-P energy: -68.763 tors. eta vs tors. theta energy: -92.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -835.631989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.631989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.631989 (E_RNA) where: Base-Base interactions energy: -497.140 where: short stacking energy: -219.333 Base-Backbone interact. energy: 0.171 local terms energy: -338.662992 where: bonds (distance) C4'-P energy: -78.380 bonds (distance) P-C4' energy: -92.117 flat angles C4'-P-C4' energy: -90.340 flat angles P-C4'-P energy: -34.996 tors. eta vs tors. theta energy: -42.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -403.615817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.615817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.615817 (E_RNA) where: Base-Base interactions energy: -161.585 where: short stacking energy: -129.616 Base-Backbone interact. energy: 6.868 local terms energy: -248.898501 where: bonds (distance) C4'-P energy: -64.580 bonds (distance) P-C4' energy: -88.244 flat angles C4'-P-C4' energy: -73.511 flat angles P-C4'-P energy: -40.018 tors. eta vs tors. theta energy: 17.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1849.764218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.764218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.764218 (E_RNA) where: Base-Base interactions energy: -1308.771 where: short stacking energy: -529.386 Base-Backbone interact. energy: 2.002 local terms energy: -542.995324 where: bonds (distance) C4'-P energy: -93.528 bonds (distance) P-C4' energy: -96.942 flat angles C4'-P-C4' energy: -117.901 flat angles P-C4'-P energy: -72.968 tors. eta vs tors. theta energy: -161.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1771.079673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.079673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.079673 (E_RNA) where: Base-Base interactions energy: -1228.842 where: short stacking energy: -500.457 Base-Backbone interact. energy: -0.305 local terms energy: -541.932750 where: bonds (distance) C4'-P energy: -96.822 bonds (distance) P-C4' energy: -94.283 flat angles C4'-P-C4' energy: -106.514 flat angles P-C4'-P energy: -86.815 tors. eta vs tors. theta energy: -157.499 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: 4 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1628.824886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.824886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.824886 (E_RNA) where: Base-Base interactions energy: -1142.156 where: short stacking energy: -455.807 Base-Backbone interact. energy: -0.908 local terms energy: -485.760991 where: bonds (distance) C4'-P energy: -82.648 bonds (distance) P-C4' energy: -86.922 flat angles C4'-P-C4' energy: -109.121 flat angles P-C4'-P energy: -69.990 tors. eta vs tors. theta energy: -137.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1574.993654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.993654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.993654 (E_RNA) where: Base-Base interactions energy: -1106.815 where: short stacking energy: -448.492 Base-Backbone interact. energy: 1.300 local terms energy: -469.478547 where: bonds (distance) C4'-P energy: -78.518 bonds (distance) P-C4' energy: -81.637 flat angles C4'-P-C4' energy: -108.047 flat angles P-C4'-P energy: -71.039 tors. eta vs tors. theta energy: -130.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1455.696139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.696139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.696139 (E_RNA) where: Base-Base interactions energy: -1014.131 where: short stacking energy: -413.265 Base-Backbone interact. energy: 0.055 local terms energy: -441.620613 where: bonds (distance) C4'-P energy: -86.110 bonds (distance) P-C4' energy: -94.316 flat angles C4'-P-C4' energy: -93.048 flat angles P-C4'-P energy: -53.405 tors. eta vs tors. theta energy: -114.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1387.065487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.065487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.065487 (E_RNA) where: Base-Base interactions energy: -950.325 where: short stacking energy: -408.963 Base-Backbone interact. energy: -1.211 local terms energy: -435.530028 where: bonds (distance) C4'-P energy: -81.710 bonds (distance) P-C4' energy: -75.564 flat angles C4'-P-C4' energy: -98.211 flat angles P-C4'-P energy: -66.789 tors. eta vs tors. theta energy: -113.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1183.115328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.115328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.115328 (E_RNA) where: Base-Base interactions energy: -792.249 where: short stacking energy: -317.049 Base-Backbone interact. energy: 2.493 local terms energy: -393.359778 where: bonds (distance) C4'-P energy: -71.516 bonds (distance) P-C4' energy: -82.925 flat angles C4'-P-C4' energy: -91.435 flat angles P-C4'-P energy: -65.260 tors. eta vs tors. theta energy: -82.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1194.735428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.735428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.735428 (E_RNA) where: Base-Base interactions energy: -795.548 where: short stacking energy: -340.818 Base-Backbone interact. energy: 1.057 local terms energy: -400.244497 where: bonds (distance) C4'-P energy: -86.824 bonds (distance) P-C4' energy: -72.303 flat angles C4'-P-C4' energy: -88.174 flat angles P-C4'-P energy: -63.037 tors. eta vs tors. theta energy: -89.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -864.375818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.375818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.375818 (E_RNA) where: Base-Base interactions energy: -553.956 where: short stacking energy: -246.932 Base-Backbone interact. energy: 1.866 local terms energy: -312.285207 where: bonds (distance) C4'-P energy: -74.370 bonds (distance) P-C4' energy: -58.031 flat angles C4'-P-C4' energy: -86.036 flat angles P-C4'-P energy: -51.975 tors. eta vs tors. theta energy: -41.873 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: 10, replica: 10 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -370.377560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.377560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.377560 (E_RNA) where: Base-Base interactions energy: -122.917 where: short stacking energy: -86.281 Base-Backbone interact. energy: -2.511 local terms energy: -244.949901 where: bonds (distance) C4'-P energy: -77.181 bonds (distance) P-C4' energy: -83.533 flat angles C4'-P-C4' energy: -67.364 flat angles P-C4'-P energy: -38.207 tors. eta vs tors. theta energy: 21.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1865.457152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.457152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.457152 (E_RNA) where: Base-Base interactions energy: -1301.527 where: short stacking energy: -532.586 Base-Backbone interact. energy: -1.011 local terms energy: -562.919233 where: bonds (distance) C4'-P energy: -105.724 bonds (distance) P-C4' energy: -99.868 flat angles C4'-P-C4' energy: -110.442 flat angles P-C4'-P energy: -83.338 tors. eta vs tors. theta energy: -163.547 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: 2, replica: 8 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1763.554604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.554604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.554604 (E_RNA) where: Base-Base interactions energy: -1244.703 where: short stacking energy: -490.350 Base-Backbone interact. energy: 0.907 local terms energy: -519.758626 where: bonds (distance) C4'-P energy: -80.214 bonds (distance) P-C4' energy: -103.413 flat angles C4'-P-C4' energy: -110.913 flat angles P-C4'-P energy: -77.310 tors. eta vs tors. theta energy: -147.908 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: 3, replica: 1 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1604.285625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.285625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.285625 (E_RNA) where: Base-Base interactions energy: -1113.275 where: short stacking energy: -445.053 Base-Backbone interact. energy: -0.320 local terms energy: -490.689897 where: bonds (distance) C4'-P energy: -96.388 bonds (distance) P-C4' energy: -87.358 flat angles C4'-P-C4' energy: -103.618 flat angles P-C4'-P energy: -71.472 tors. eta vs tors. theta energy: -131.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1544.116609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.116609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.116609 (E_RNA) where: Base-Base interactions energy: -1083.579 where: short stacking energy: -446.492 Base-Backbone interact. energy: 1.362 local terms energy: -461.899058 where: bonds (distance) C4'-P energy: -74.407 bonds (distance) P-C4' energy: -86.612 flat angles C4'-P-C4' energy: -92.639 flat angles P-C4'-P energy: -76.512 tors. eta vs tors. theta energy: -131.729 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: 2 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1457.654401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.654401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.654401 (E_RNA) where: Base-Base interactions energy: -984.592 where: short stacking energy: -400.670 Base-Backbone interact. energy: 0.212 local terms energy: -473.274251 where: bonds (distance) C4'-P energy: -100.862 bonds (distance) P-C4' energy: -101.083 flat angles C4'-P-C4' energy: -92.934 flat angles P-C4'-P energy: -62.992 tors. eta vs tors. theta energy: -115.403 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: 6 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1406.266153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.266153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.266153 (E_RNA) where: Base-Base interactions energy: -969.778 where: short stacking energy: -392.862 Base-Backbone interact. energy: -2.336 local terms energy: -434.151902 where: bonds (distance) C4'-P energy: -88.625 bonds (distance) P-C4' energy: -79.879 flat angles C4'-P-C4' energy: -90.276 flat angles P-C4'-P energy: -54.515 tors. eta vs tors. theta energy: -120.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1200.016994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.016994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.016994 (E_RNA) where: Base-Base interactions energy: -787.467 where: short stacking energy: -310.221 Base-Backbone interact. energy: -2.087 local terms energy: -410.462860 where: bonds (distance) C4'-P energy: -79.674 bonds (distance) P-C4' energy: -86.938 flat angles C4'-P-C4' energy: -94.740 flat angles P-C4'-P energy: -72.638 tors. eta vs tors. theta energy: -76.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1168.513454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.513454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.513454 (E_RNA) where: Base-Base interactions energy: -791.454 where: short stacking energy: -344.877 Base-Backbone interact. energy: 2.490 local terms energy: -379.549513 where: bonds (distance) C4'-P energy: -77.305 bonds (distance) P-C4' energy: -89.912 flat angles C4'-P-C4' energy: -82.412 flat angles P-C4'-P energy: -56.818 tors. eta vs tors. theta energy: -73.103 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: 9, replica: 7 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -874.444060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.444060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.444060 (E_RNA) where: Base-Base interactions energy: -550.090 where: short stacking energy: -250.159 Base-Backbone interact. energy: -3.882 local terms energy: -320.472456 where: bonds (distance) C4'-P energy: -71.262 bonds (distance) P-C4' energy: -80.590 flat angles C4'-P-C4' energy: -74.760 flat angles P-C4'-P energy: -48.678 tors. eta vs tors. theta energy: -45.182 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: 10 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -395.840949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.840949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.840949 (E_RNA) where: Base-Base interactions energy: -145.403 where: short stacking energy: -112.436 Base-Backbone interact. energy: 0.967 local terms energy: -251.405199 where: bonds (distance) C4'-P energy: -65.489 bonds (distance) P-C4' energy: -87.175 flat angles C4'-P-C4' energy: -74.510 flat angles P-C4'-P energy: -32.146 tors. eta vs tors. theta energy: 7.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1851.141828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.141828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.141828 (E_RNA) where: Base-Base interactions energy: -1299.726 where: short stacking energy: -526.158 Base-Backbone interact. energy: 0.564 local terms energy: -551.980385 where: bonds (distance) C4'-P energy: -93.784 bonds (distance) P-C4' energy: -98.076 flat angles C4'-P-C4' energy: -110.608 flat angles P-C4'-P energy: -85.094 tors. eta vs tors. theta energy: -164.419 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: 8 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1773.279728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.279728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.279728 (E_RNA) where: Base-Base interactions energy: -1260.680 where: short stacking energy: -499.262 Base-Backbone interact. energy: -1.361 local terms energy: -511.238201 where: bonds (distance) C4'-P energy: -95.683 bonds (distance) P-C4' energy: -91.041 flat angles C4'-P-C4' energy: -106.387 flat angles P-C4'-P energy: -67.767 tors. eta vs tors. theta energy: -150.359 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: 1 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1623.501140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.501140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.501140 (E_RNA) where: Base-Base interactions energy: -1136.937 where: short stacking energy: -466.629 Base-Backbone interact. energy: -1.168 local terms energy: -485.396256 where: bonds (distance) C4'-P energy: -94.942 bonds (distance) P-C4' energy: -85.279 flat angles C4'-P-C4' energy: -107.066 flat angles P-C4'-P energy: -63.749 tors. eta vs tors. theta energy: -134.360 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: 4 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1556.450256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.450256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.450256 (E_RNA) where: Base-Base interactions energy: -1060.705 where: short stacking energy: -420.309 Base-Backbone interact. energy: -2.478 local terms energy: -493.267543 where: bonds (distance) C4'-P energy: -91.418 bonds (distance) P-C4' energy: -97.995 flat angles C4'-P-C4' energy: -100.374 flat angles P-C4'-P energy: -71.327 tors. eta vs tors. theta energy: -132.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1508.918754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.918754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.918754 (E_RNA) where: Base-Base interactions energy: -1038.037 where: short stacking energy: -438.406 Base-Backbone interact. energy: 2.796 local terms energy: -473.678032 where: bonds (distance) C4'-P energy: -79.908 bonds (distance) P-C4' energy: -90.783 flat angles C4'-P-C4' energy: -102.014 flat angles P-C4'-P energy: -70.937 tors. eta vs tors. theta energy: -130.035 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: 6 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1433.896322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.896322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.896322 (E_RNA) where: Base-Base interactions energy: -980.369 where: short stacking energy: -385.318 Base-Backbone interact. energy: -1.821 local terms energy: -451.706157 where: bonds (distance) C4'-P energy: -85.790 bonds (distance) P-C4' energy: -86.671 flat angles C4'-P-C4' energy: -97.579 flat angles P-C4'-P energy: -60.105 tors. eta vs tors. theta energy: -121.561 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: 9 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1176.313396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.313396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.313396 (E_RNA) where: Base-Base interactions energy: -790.610 where: short stacking energy: -330.306 Base-Backbone interact. energy: 0.561 local terms energy: -386.264335 where: bonds (distance) C4'-P energy: -99.019 bonds (distance) P-C4' energy: -78.392 flat angles C4'-P-C4' energy: -87.297 flat angles P-C4'-P energy: -48.118 tors. eta vs tors. theta energy: -73.438 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: 5 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1168.704421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.704421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.704421 (E_RNA) where: Base-Base interactions energy: -763.895 where: short stacking energy: -337.796 Base-Backbone interact. energy: -0.939 local terms energy: -403.870094 where: bonds (distance) C4'-P energy: -80.592 bonds (distance) P-C4' energy: -79.468 flat angles C4'-P-C4' energy: -93.828 flat angles P-C4'-P energy: -68.623 tors. eta vs tors. theta energy: -81.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -962.733167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.733167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.733167 (E_RNA) where: Base-Base interactions energy: -604.914 where: short stacking energy: -290.233 Base-Backbone interact. energy: 1.099 local terms energy: -358.918667 where: bonds (distance) C4'-P energy: -64.439 bonds (distance) P-C4' energy: -91.315 flat angles C4'-P-C4' energy: -73.500 flat angles P-C4'-P energy: -60.981 tors. eta vs tors. theta energy: -68.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -385.372914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.372914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.372914 (E_RNA) where: Base-Base interactions energy: -153.577 where: short stacking energy: -111.667 Base-Backbone interact. energy: -3.615 local terms energy: -228.180151 where: bonds (distance) C4'-P energy: -62.831 bonds (distance) P-C4' energy: -64.973 flat angles C4'-P-C4' energy: -73.673 flat angles P-C4'-P energy: -39.792 tors. eta vs tors. theta energy: 13.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1839.085626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.085626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.085626 (E_RNA) where: Base-Base interactions energy: -1288.893 where: short stacking energy: -545.265 Base-Backbone interact. energy: -0.846 local terms energy: -549.347065 where: bonds (distance) C4'-P energy: -96.956 bonds (distance) P-C4' energy: -98.502 flat angles C4'-P-C4' energy: -108.243 flat angles P-C4'-P energy: -83.686 tors. eta vs tors. theta energy: -161.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1751.980598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.980598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.980598 (E_RNA) where: Base-Base interactions energy: -1232.468 where: short stacking energy: -494.370 Base-Backbone interact. energy: -2.255 local terms energy: -517.257704 where: bonds (distance) C4'-P energy: -98.078 bonds (distance) P-C4' energy: -79.819 flat angles C4'-P-C4' energy: -103.705 flat angles P-C4'-P energy: -77.837 tors. eta vs tors. theta energy: -157.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1596.381093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.381093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.381093 (E_RNA) where: Base-Base interactions energy: -1103.623 where: short stacking energy: -445.117 Base-Backbone interact. energy: -0.194 local terms energy: -492.564949 where: bonds (distance) C4'-P energy: -96.615 bonds (distance) P-C4' energy: -95.337 flat angles C4'-P-C4' energy: -101.214 flat angles P-C4'-P energy: -66.501 tors. eta vs tors. theta energy: -132.898 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: 4 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1576.910304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.910304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.910304 (E_RNA) where: Base-Base interactions energy: -1100.448 where: short stacking energy: -446.730 Base-Backbone interact. energy: -0.432 local terms energy: -476.030077 where: bonds (distance) C4'-P energy: -79.424 bonds (distance) P-C4' energy: -98.764 flat angles C4'-P-C4' energy: -98.709 flat angles P-C4'-P energy: -70.361 tors. eta vs tors. theta energy: -128.771 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: 2 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1520.611073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.611073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.611073 (E_RNA) where: Base-Base interactions energy: -1074.426 where: short stacking energy: -425.744 Base-Backbone interact. energy: 0.546 local terms energy: -446.730731 where: bonds (distance) C4'-P energy: -82.247 bonds (distance) P-C4' energy: -81.951 flat angles C4'-P-C4' energy: -97.454 flat angles P-C4'-P energy: -58.912 tors. eta vs tors. theta energy: -126.168 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: 6 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1416.298069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.298069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.298069 (E_RNA) where: Base-Base interactions energy: -980.378 where: short stacking energy: -398.385 Base-Backbone interact. energy: -1.077 local terms energy: -434.842583 where: bonds (distance) C4'-P energy: -93.945 bonds (distance) P-C4' energy: -83.615 flat angles C4'-P-C4' energy: -90.859 flat angles P-C4'-P energy: -53.534 tors. eta vs tors. theta energy: -112.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1268.043151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.043151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.043151 (E_RNA) where: Base-Base interactions energy: -857.156 where: short stacking energy: -366.392 Base-Backbone interact. energy: -1.824 local terms energy: -409.062946 where: bonds (distance) C4'-P energy: -90.217 bonds (distance) P-C4' energy: -75.135 flat angles C4'-P-C4' energy: -94.336 flat angles P-C4'-P energy: -49.154 tors. eta vs tors. theta energy: -100.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1120.054188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.054188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.054188 (E_RNA) where: Base-Base interactions energy: -717.135 where: short stacking energy: -313.193 Base-Backbone interact. energy: -0.639 local terms energy: -402.280082 where: bonds (distance) C4'-P energy: -101.365 bonds (distance) P-C4' energy: -81.555 flat angles C4'-P-C4' energy: -83.078 flat angles P-C4'-P energy: -61.298 tors. eta vs tors. theta energy: -74.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -917.511112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.511112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.511112 (E_RNA) where: Base-Base interactions energy: -588.569 where: short stacking energy: -288.777 Base-Backbone interact. energy: 5.655 local terms energy: -334.597082 where: bonds (distance) C4'-P energy: -75.385 bonds (distance) P-C4' energy: -77.499 flat angles C4'-P-C4' energy: -78.021 flat angles P-C4'-P energy: -43.763 tors. eta vs tors. theta energy: -59.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -376.883621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.883621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.883621 (E_RNA) where: Base-Base interactions energy: -124.604 where: short stacking energy: -116.661 Base-Backbone interact. energy: -1.328 local terms energy: -250.951105 where: bonds (distance) C4'-P energy: -63.345 bonds (distance) P-C4' energy: -91.306 flat angles C4'-P-C4' energy: -79.284 flat angles P-C4'-P energy: -30.175 tors. eta vs tors. theta energy: 13.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1831.873116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.873116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.873116 (E_RNA) where: Base-Base interactions energy: -1291.462 where: short stacking energy: -524.493 Base-Backbone interact. energy: 2.208 local terms energy: -542.619327 where: bonds (distance) C4'-P energy: -90.691 bonds (distance) P-C4' energy: -90.512 flat angles C4'-P-C4' energy: -116.058 flat angles P-C4'-P energy: -82.767 tors. eta vs tors. theta energy: -162.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1770.381766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.381766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.381766 (E_RNA) where: Base-Base interactions energy: -1237.807 where: short stacking energy: -510.296 Base-Backbone interact. energy: -0.800 local terms energy: -531.775297 where: bonds (distance) C4'-P energy: -87.611 bonds (distance) P-C4' energy: -111.174 flat angles C4'-P-C4' energy: -108.042 flat angles P-C4'-P energy: -71.465 tors. eta vs tors. theta energy: -153.484 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: 1 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1615.367233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.367233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.367233 (E_RNA) where: Base-Base interactions energy: -1128.507 where: short stacking energy: -450.546 Base-Backbone interact. energy: 3.342 local terms energy: -490.201881 where: bonds (distance) C4'-P energy: -91.646 bonds (distance) P-C4' energy: -89.953 flat angles C4'-P-C4' energy: -106.474 flat angles P-C4'-P energy: -74.807 tors. eta vs tors. theta energy: -127.321 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: 4 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1589.355675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.355675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.355675 (E_RNA) where: Base-Base interactions energy: -1090.226 where: short stacking energy: -449.909 Base-Backbone interact. energy: -2.941 local terms energy: -496.188710 where: bonds (distance) C4'-P energy: -83.608 bonds (distance) P-C4' energy: -97.383 flat angles C4'-P-C4' energy: -107.332 flat angles P-C4'-P energy: -76.285 tors. eta vs tors. theta energy: -131.582 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: 2 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1549.762508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.762508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.762508 (E_RNA) where: Base-Base interactions energy: -1081.090 where: short stacking energy: -431.905 Base-Backbone interact. energy: -0.563 local terms energy: -468.109395 where: bonds (distance) C4'-P energy: -72.138 bonds (distance) P-C4' energy: -91.235 flat angles C4'-P-C4' energy: -99.503 flat angles P-C4'-P energy: -67.680 tors. eta vs tors. theta energy: -137.553 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: 123 Temperature: 1.150000 Total energy: -1401.178405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.178405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.178405 (E_RNA) where: Base-Base interactions energy: -956.435 where: short stacking energy: -421.026 Base-Backbone interact. energy: -0.351 local terms energy: -444.392465 where: bonds (distance) C4'-P energy: -83.776 bonds (distance) P-C4' energy: -86.188 flat angles C4'-P-C4' energy: -89.812 flat angles P-C4'-P energy: -68.238 tors. eta vs tors. theta energy: -116.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1270.929331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.929331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.929331 (E_RNA) where: Base-Base interactions energy: -841.197 where: short stacking energy: -354.368 Base-Backbone interact. energy: -1.328 local terms energy: -428.403981 where: bonds (distance) C4'-P energy: -83.475 bonds (distance) P-C4' energy: -82.685 flat angles C4'-P-C4' energy: -86.187 flat angles P-C4'-P energy: -63.011 tors. eta vs tors. theta energy: -113.047 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: 5 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1114.603968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.603968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.603968 (E_RNA) where: Base-Base interactions energy: -735.015 where: short stacking energy: -326.730 Base-Backbone interact. energy: 0.926 local terms energy: -380.514440 where: bonds (distance) C4'-P energy: -84.086 bonds (distance) P-C4' energy: -84.660 flat angles C4'-P-C4' energy: -93.201 flat angles P-C4'-P energy: -50.263 tors. eta vs tors. theta energy: -68.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -920.301223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.301223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.301223 (E_RNA) where: Base-Base interactions energy: -599.384 where: short stacking energy: -265.488 Base-Backbone interact. energy: -2.117 local terms energy: -318.799617 where: bonds (distance) C4'-P energy: -64.922 bonds (distance) P-C4' energy: -88.345 flat angles C4'-P-C4' energy: -70.946 flat angles P-C4'-P energy: -41.536 tors. eta vs tors. theta energy: -53.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -347.176920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -347.176920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -347.176920 (E_RNA) where: Base-Base interactions energy: -119.170 where: short stacking energy: -109.324 Base-Backbone interact. energy: 4.990 local terms energy: -232.996077 where: bonds (distance) C4'-P energy: -92.367 bonds (distance) P-C4' energy: -72.080 flat angles C4'-P-C4' energy: -58.481 flat angles P-C4'-P energy: -27.980 tors. eta vs tors. theta energy: 17.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1832.848051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.848051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.848051 (E_RNA) where: Base-Base interactions energy: -1297.530 where: short stacking energy: -537.855 Base-Backbone interact. energy: 0.613 local terms energy: -535.930442 where: bonds (distance) C4'-P energy: -88.598 bonds (distance) P-C4' energy: -94.410 flat angles C4'-P-C4' energy: -111.861 flat angles P-C4'-P energy: -80.192 tors. eta vs tors. theta energy: -160.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1758.034261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.034261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.034261 (E_RNA) where: Base-Base interactions energy: -1238.993 where: short stacking energy: -499.158 Base-Backbone interact. energy: -1.767 local terms energy: -517.274403 where: bonds (distance) C4'-P energy: -94.408 bonds (distance) P-C4' energy: -91.770 flat angles C4'-P-C4' energy: -103.767 flat angles P-C4'-P energy: -70.350 tors. eta vs tors. theta energy: -156.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1625.511113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.511113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.511113 (E_RNA) where: Base-Base interactions energy: -1122.016 where: short stacking energy: -447.404 Base-Backbone interact. energy: -1.211 local terms energy: -502.283653 where: bonds (distance) C4'-P energy: -94.842 bonds (distance) P-C4' energy: -93.520 flat angles C4'-P-C4' energy: -104.626 flat angles P-C4'-P energy: -72.527 tors. eta vs tors. theta energy: -136.769 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: 1 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1611.402356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.402356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.402356 (E_RNA) where: Base-Base interactions energy: -1114.587 where: short stacking energy: -453.136 Base-Backbone interact. energy: -0.087 local terms energy: -496.728011 where: bonds (distance) C4'-P energy: -87.663 bonds (distance) P-C4' energy: -90.250 flat angles C4'-P-C4' energy: -103.999 flat angles P-C4'-P energy: -76.097 tors. eta vs tors. theta energy: -138.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1570.950881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.950881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.950881 (E_RNA) where: Base-Base interactions energy: -1075.472 where: short stacking energy: -432.011 Base-Backbone interact. energy: -2.342 local terms energy: -493.137351 where: bonds (distance) C4'-P energy: -106.491 bonds (distance) P-C4' energy: -80.995 flat angles C4'-P-C4' energy: -104.242 flat angles P-C4'-P energy: -70.330 tors. eta vs tors. theta energy: -131.079 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: 124 Temperature: 1.150000 Total energy: -1386.112608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.112608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.112608 (E_RNA) where: Base-Base interactions energy: -924.945 where: short stacking energy: -388.493 Base-Backbone interact. energy: 5.005 local terms energy: -466.172987 where: bonds (distance) C4'-P energy: -82.343 bonds (distance) P-C4' energy: -94.758 flat angles C4'-P-C4' energy: -102.240 flat angles P-C4'-P energy: -72.271 tors. eta vs tors. theta energy: -114.561 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: 9 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1277.663383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.663383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.663383 (E_RNA) where: Base-Base interactions energy: -865.158 where: short stacking energy: -353.440 Base-Backbone interact. energy: 0.754 local terms energy: -413.259451 where: bonds (distance) C4'-P energy: -81.361 bonds (distance) P-C4' energy: -78.467 flat angles C4'-P-C4' energy: -92.365 flat angles P-C4'-P energy: -73.305 tors. eta vs tors. theta energy: -87.761 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: 8, replica: 5 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1115.019894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.019894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.019894 (E_RNA) where: Base-Base interactions energy: -742.460 where: short stacking energy: -302.778 Base-Backbone interact. energy: -0.663 local terms energy: -371.896919 where: bonds (distance) C4'-P energy: -75.244 bonds (distance) P-C4' energy: -82.309 flat angles C4'-P-C4' energy: -83.395 flat angles P-C4'-P energy: -57.143 tors. eta vs tors. theta energy: -73.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -906.455098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.455098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.455098 (E_RNA) where: Base-Base interactions energy: -590.640 where: short stacking energy: -255.376 Base-Backbone interact. energy: -0.432 local terms energy: -315.383350 where: bonds (distance) C4'-P energy: -69.704 bonds (distance) P-C4' energy: -76.567 flat angles C4'-P-C4' energy: -71.210 flat angles P-C4'-P energy: -49.793 tors. eta vs tors. theta energy: -48.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -388.596708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.596708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.596708 (E_RNA) where: Base-Base interactions energy: -124.059 where: short stacking energy: -104.871 Base-Backbone interact. energy: 4.133 local terms energy: -268.670559 where: bonds (distance) C4'-P energy: -86.584 bonds (distance) P-C4' energy: -76.513 flat angles C4'-P-C4' energy: -57.935 flat angles P-C4'-P energy: -59.346 tors. eta vs tors. theta energy: 11.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1822.273478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.273478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.273478 (E_RNA) where: Base-Base interactions energy: -1275.838 where: short stacking energy: -526.526 Base-Backbone interact. energy: -0.818 local terms energy: -545.617220 where: bonds (distance) C4'-P energy: -104.433 bonds (distance) P-C4' energy: -89.987 flat angles C4'-P-C4' energy: -116.101 flat angles P-C4'-P energy: -80.105 tors. eta vs tors. theta energy: -154.992 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: 8 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1760.095200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.095200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.095200 (E_RNA) where: Base-Base interactions energy: -1255.418 where: short stacking energy: -516.800 Base-Backbone interact. energy: -1.029 local terms energy: -503.647299 where: bonds (distance) C4'-P energy: -77.835 bonds (distance) P-C4' energy: -90.765 flat angles C4'-P-C4' energy: -105.408 flat angles P-C4'-P energy: -69.688 tors. eta vs tors. theta energy: -159.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1629.765631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.765631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.765631 (E_RNA) where: Base-Base interactions energy: -1122.677 where: short stacking energy: -436.271 Base-Backbone interact. energy: 2.274 local terms energy: -509.362219 where: bonds (distance) C4'-P energy: -98.389 bonds (distance) P-C4' energy: -87.370 flat angles C4'-P-C4' energy: -106.276 flat angles P-C4'-P energy: -76.177 tors. eta vs tors. theta energy: -141.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1558.497076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.497076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.497076 (E_RNA) where: Base-Base interactions energy: -1063.622 where: short stacking energy: -436.472 Base-Backbone interact. energy: -1.617 local terms energy: -493.257636 where: bonds (distance) C4'-P energy: -80.285 bonds (distance) P-C4' energy: -94.154 flat angles C4'-P-C4' energy: -111.505 flat angles P-C4'-P energy: -73.086 tors. eta vs tors. theta energy: -134.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1546.814667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.814667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.814667 (E_RNA) where: Base-Base interactions energy: -1095.528 where: short stacking energy: -450.851 Base-Backbone interact. energy: 0.988 local terms energy: -452.274638 where: bonds (distance) C4'-P energy: -85.182 bonds (distance) P-C4' energy: -71.601 flat angles C4'-P-C4' energy: -98.436 flat angles P-C4'-P energy: -71.909 tors. eta vs tors. theta energy: -125.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1397.630373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.630373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.630373 (E_RNA) where: Base-Base interactions energy: -961.100 where: short stacking energy: -403.859 Base-Backbone interact. energy: 4.153 local terms energy: -440.683725 where: bonds (distance) C4'-P energy: -77.281 bonds (distance) P-C4' energy: -85.448 flat angles C4'-P-C4' energy: -94.680 flat angles P-C4'-P energy: -75.362 tors. eta vs tors. theta energy: -107.912 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: 9 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1273.849422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.849422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.849422 (E_RNA) where: Base-Base interactions energy: -873.369 where: short stacking energy: -384.650 Base-Backbone interact. energy: -1.432 local terms energy: -399.048996 where: bonds (distance) C4'-P energy: -74.759 bonds (distance) P-C4' energy: -81.705 flat angles C4'-P-C4' energy: -86.879 flat angles P-C4'-P energy: -53.605 tors. eta vs tors. theta energy: -102.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1199.008165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.008165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.008165 (E_RNA) where: Base-Base interactions energy: -814.497 where: short stacking energy: -333.595 Base-Backbone interact. energy: -1.156 local terms energy: -383.354910 where: bonds (distance) C4'-P energy: -77.904 bonds (distance) P-C4' energy: -75.730 flat angles C4'-P-C4' energy: -78.665 flat angles P-C4'-P energy: -64.644 tors. eta vs tors. theta energy: -86.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -901.315262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.315262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.315262 (E_RNA) where: Base-Base interactions energy: -558.906 where: short stacking energy: -263.280 Base-Backbone interact. energy: -1.753 local terms energy: -340.656512 where: bonds (distance) C4'-P energy: -71.602 bonds (distance) P-C4' energy: -79.501 flat angles C4'-P-C4' energy: -82.198 flat angles P-C4'-P energy: -49.073 tors. eta vs tors. theta energy: -58.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -371.536618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.536618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.536618 (E_RNA) where: Base-Base interactions energy: -114.648 where: short stacking energy: -77.223 Base-Backbone interact. energy: -1.454 local terms energy: -255.435194 where: bonds (distance) C4'-P energy: -81.551 bonds (distance) P-C4' energy: -85.733 flat angles C4'-P-C4' energy: -66.012 flat angles P-C4'-P energy: -43.130 tors. eta vs tors. theta energy: 20.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1846.126189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.126189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.126189 (E_RNA) where: Base-Base interactions energy: -1283.568 where: short stacking energy: -522.806 Base-Backbone interact. energy: -0.801 local terms energy: -561.757655 where: bonds (distance) C4'-P energy: -92.745 bonds (distance) P-C4' energy: -102.026 flat angles C4'-P-C4' energy: -119.384 flat angles P-C4'-P energy: -82.790 tors. eta vs tors. theta energy: -164.812 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: 8 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1765.587855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.587855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.587855 (E_RNA) where: Base-Base interactions energy: -1249.240 where: short stacking energy: -500.730 Base-Backbone interact. energy: 0.002 local terms energy: -516.350325 where: bonds (distance) C4'-P energy: -97.782 bonds (distance) P-C4' energy: -80.492 flat angles C4'-P-C4' energy: -116.223 flat angles P-C4'-P energy: -76.401 tors. eta vs tors. theta energy: -145.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1625.815600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.815600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.815600 (E_RNA) where: Base-Base interactions energy: -1144.553 where: short stacking energy: -463.837 Base-Backbone interact. energy: 2.720 local terms energy: -483.982693 where: bonds (distance) C4'-P energy: -86.214 bonds (distance) P-C4' energy: -81.773 flat angles C4'-P-C4' energy: -100.199 flat angles P-C4'-P energy: -71.881 tors. eta vs tors. theta energy: -143.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1548.663365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.663365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.663365 (E_RNA) where: Base-Base interactions energy: -1079.533 where: short stacking energy: -436.492 Base-Backbone interact. energy: -2.069 local terms energy: -467.060808 where: bonds (distance) C4'-P energy: -87.699 bonds (distance) P-C4' energy: -86.624 flat angles C4'-P-C4' energy: -103.253 flat angles P-C4'-P energy: -57.400 tors. eta vs tors. theta energy: -132.085 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: 126 Temperature: 1.100000 Total energy: -1531.765253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.765253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.765253 (E_RNA) where: Base-Base interactions energy: -1079.092 where: short stacking energy: -428.221 Base-Backbone interact. energy: -1.575 local terms energy: -451.098362 where: bonds (distance) C4'-P energy: -83.164 bonds (distance) P-C4' energy: -72.668 flat angles C4'-P-C4' energy: -100.896 flat angles P-C4'-P energy: -69.951 tors. eta vs tors. theta energy: -124.420 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: 6 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1407.329849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.329849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.329849 (E_RNA) where: Base-Base interactions energy: -957.634 where: short stacking energy: -405.126 Base-Backbone interact. energy: -0.279 local terms energy: -449.417491 where: bonds (distance) C4'-P energy: -83.854 bonds (distance) P-C4' energy: -88.251 flat angles C4'-P-C4' energy: -96.314 flat angles P-C4'-P energy: -63.274 tors. eta vs tors. theta energy: -117.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1307.539654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.539654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.539654 (E_RNA) where: Base-Base interactions energy: -876.031 where: short stacking energy: -357.383 Base-Backbone interact. energy: -0.960 local terms energy: -430.548425 where: bonds (distance) C4'-P energy: -80.868 bonds (distance) P-C4' energy: -88.774 flat angles C4'-P-C4' energy: -93.963 flat angles P-C4'-P energy: -74.780 tors. eta vs tors. theta energy: -92.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1140.591036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.591036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.591036 (E_RNA) where: Base-Base interactions energy: -750.075 where: short stacking energy: -312.078 Base-Backbone interact. energy: -4.008 local terms energy: -386.508008 where: bonds (distance) C4'-P energy: -82.334 bonds (distance) P-C4' energy: -67.007 flat angles C4'-P-C4' energy: -89.571 flat angles P-C4'-P energy: -75.618 tors. eta vs tors. theta energy: -71.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -902.459356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.459356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.459356 (E_RNA) where: Base-Base interactions energy: -551.853 where: short stacking energy: -228.367 Base-Backbone interact. energy: -1.992 local terms energy: -348.613671 where: bonds (distance) C4'-P energy: -79.460 bonds (distance) P-C4' energy: -85.540 flat angles C4'-P-C4' energy: -82.813 flat angles P-C4'-P energy: -59.716 tors. eta vs tors. theta energy: -41.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -379.034513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.034513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.034513 (E_RNA) where: Base-Base interactions energy: -127.410 where: short stacking energy: -87.197 Base-Backbone interact. energy: -1.828 local terms energy: -249.796812 where: bonds (distance) C4'-P energy: -84.766 bonds (distance) P-C4' energy: -84.743 flat angles C4'-P-C4' energy: -67.049 flat angles P-C4'-P energy: -37.672 tors. eta vs tors. theta energy: 24.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1829.526695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.526695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.526695 (E_RNA) where: Base-Base interactions energy: -1277.309 where: short stacking energy: -527.621 Base-Backbone interact. energy: 0.727 local terms energy: -552.945250 where: bonds (distance) C4'-P energy: -98.967 bonds (distance) P-C4' energy: -112.966 flat angles C4'-P-C4' energy: -106.957 flat angles P-C4'-P energy: -72.572 tors. eta vs tors. theta energy: -161.484 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: 8 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1768.660574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.660574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.660574 (E_RNA) where: Base-Base interactions energy: -1250.959 where: short stacking energy: -501.925 Base-Backbone interact. energy: -0.281 local terms energy: -517.420391 where: bonds (distance) C4'-P energy: -89.475 bonds (distance) P-C4' energy: -89.790 flat angles C4'-P-C4' energy: -110.253 flat angles P-C4'-P energy: -79.471 tors. eta vs tors. theta energy: -148.432 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: 4 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1647.285619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.285619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.285619 (E_RNA) where: Base-Base interactions energy: -1158.162 where: short stacking energy: -454.161 Base-Backbone interact. energy: 0.007 local terms energy: -489.130649 where: bonds (distance) C4'-P energy: -88.002 bonds (distance) P-C4' energy: -90.445 flat angles C4'-P-C4' energy: -107.111 flat angles P-C4'-P energy: -66.010 tors. eta vs tors. theta energy: -137.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1547.113336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.113336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.113336 (E_RNA) where: Base-Base interactions energy: -1084.520 where: short stacking energy: -450.761 Base-Backbone interact. energy: -0.485 local terms energy: -462.108679 where: bonds (distance) C4'-P energy: -85.007 bonds (distance) P-C4' energy: -80.091 flat angles C4'-P-C4' energy: -100.355 flat angles P-C4'-P energy: -65.786 tors. eta vs tors. theta energy: -130.870 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: 1 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1508.516741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.516741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.516741 (E_RNA) where: Base-Base interactions energy: -1028.052 where: short stacking energy: -426.112 Base-Backbone interact. energy: -0.081 local terms energy: -480.383824 where: bonds (distance) C4'-P energy: -89.857 bonds (distance) P-C4' energy: -89.981 flat angles C4'-P-C4' energy: -102.616 flat angles P-C4'-P energy: -78.301 tors. eta vs tors. theta energy: -119.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1399.603574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.603574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.603574 (E_RNA) where: Base-Base interactions energy: -945.000 where: short stacking energy: -400.473 Base-Backbone interact. energy: -2.480 local terms energy: -452.124182 where: bonds (distance) C4'-P energy: -83.936 bonds (distance) P-C4' energy: -91.517 flat angles C4'-P-C4' energy: -101.139 flat angles P-C4'-P energy: -55.091 tors. eta vs tors. theta energy: -120.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1295.248497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.248497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.248497 (E_RNA) where: Base-Base interactions energy: -861.591 where: short stacking energy: -379.733 Base-Backbone interact. energy: -2.024 local terms energy: -431.633421 where: bonds (distance) C4'-P energy: -75.289 bonds (distance) P-C4' energy: -78.960 flat angles C4'-P-C4' energy: -102.914 flat angles P-C4'-P energy: -68.829 tors. eta vs tors. theta energy: -105.641 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: 5 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1133.291289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.291289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.291289 (E_RNA) where: Base-Base interactions energy: -735.759 where: short stacking energy: -307.536 Base-Backbone interact. energy: -2.713 local terms energy: -394.819445 where: bonds (distance) C4'-P energy: -81.470 bonds (distance) P-C4' energy: -88.931 flat angles C4'-P-C4' energy: -89.859 flat angles P-C4'-P energy: -61.423 tors. eta vs tors. theta energy: -73.136 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: 7 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -898.551582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.551582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.551582 (E_RNA) where: Base-Base interactions energy: -551.922 where: short stacking energy: -249.007 Base-Backbone interact. energy: 2.242 local terms energy: -348.871349 where: bonds (distance) C4'-P energy: -77.306 bonds (distance) P-C4' energy: -77.057 flat angles C4'-P-C4' energy: -95.329 flat angles P-C4'-P energy: -49.217 tors. eta vs tors. theta energy: -49.963 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: 10 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -408.065381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.065381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.065381 (E_RNA) where: Base-Base interactions energy: -171.718 where: short stacking energy: -87.196 Base-Backbone interact. energy: 2.764 local terms energy: -239.110962 where: bonds (distance) C4'-P energy: -71.426 bonds (distance) P-C4' energy: -87.723 flat angles C4'-P-C4' energy: -78.910 flat angles P-C4'-P energy: -32.471 tors. eta vs tors. theta energy: 31.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1844.161712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.161712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.161712 (E_RNA) where: Base-Base interactions energy: -1303.287 where: short stacking energy: -529.990 Base-Backbone interact. energy: -1.470 local terms energy: -539.404658 where: bonds (distance) C4'-P energy: -100.528 bonds (distance) P-C4' energy: -93.096 flat angles C4'-P-C4' energy: -109.597 flat angles P-C4'-P energy: -72.886 tors. eta vs tors. theta energy: -163.297 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: 8 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1767.922300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.922300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.922300 (E_RNA) where: Base-Base interactions energy: -1249.405 where: short stacking energy: -501.118 Base-Backbone interact. energy: -0.579 local terms energy: -517.938325 where: bonds (distance) C4'-P energy: -94.025 bonds (distance) P-C4' energy: -93.079 flat angles C4'-P-C4' energy: -107.158 flat angles P-C4'-P energy: -78.216 tors. eta vs tors. theta energy: -145.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1606.769946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.769946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.769946 (E_RNA) where: Base-Base interactions energy: -1135.508 where: short stacking energy: -434.769 Base-Backbone interact. energy: -0.591 local terms energy: -470.671246 where: bonds (distance) C4'-P energy: -84.781 bonds (distance) P-C4' energy: -94.082 flat angles C4'-P-C4' energy: -93.433 flat angles P-C4'-P energy: -66.768 tors. eta vs tors. theta energy: -131.607 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: 4, replica: 2 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1546.572937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.572937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.572937 (E_RNA) where: Base-Base interactions energy: -1061.424 where: short stacking energy: -437.761 Base-Backbone interact. energy: 0.556 local terms energy: -485.705070 where: bonds (distance) C4'-P energy: -89.546 bonds (distance) P-C4' energy: -94.616 flat angles C4'-P-C4' energy: -105.279 flat angles P-C4'-P energy: -68.839 tors. eta vs tors. theta energy: -127.425 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: 5, replica: 1 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1519.459107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.459107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.459107 (E_RNA) where: Base-Base interactions energy: -1054.712 where: short stacking energy: -404.436 Base-Backbone interact. energy: -0.040 local terms energy: -464.706808 where: bonds (distance) C4'-P energy: -81.816 bonds (distance) P-C4' energy: -94.902 flat angles C4'-P-C4' energy: -102.642 flat angles P-C4'-P energy: -70.474 tors. eta vs tors. theta energy: -114.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1403.855753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.855753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.855753 (E_RNA) where: Base-Base interactions energy: -955.367 where: short stacking energy: -382.220 Base-Backbone interact. energy: 2.230 local terms energy: -450.718602 where: bonds (distance) C4'-P energy: -86.955 bonds (distance) P-C4' energy: -81.060 flat angles C4'-P-C4' energy: -101.780 flat angles P-C4'-P energy: -59.477 tors. eta vs tors. theta energy: -121.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1330.711614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.711614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.711614 (E_RNA) where: Base-Base interactions energy: -922.655 where: short stacking energy: -367.094 Base-Backbone interact. energy: 1.157 local terms energy: -409.213836 where: bonds (distance) C4'-P energy: -81.232 bonds (distance) P-C4' energy: -81.080 flat angles C4'-P-C4' energy: -100.668 flat angles P-C4'-P energy: -49.138 tors. eta vs tors. theta energy: -97.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1216.518286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.518286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.518286 (E_RNA) where: Base-Base interactions energy: -850.067 where: short stacking energy: -358.308 Base-Backbone interact. energy: 0.721 local terms energy: -367.172228 where: bonds (distance) C4'-P energy: -75.080 bonds (distance) P-C4' energy: -77.660 flat angles C4'-P-C4' energy: -71.674 flat angles P-C4'-P energy: -46.533 tors. eta vs tors. theta energy: -96.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -957.339451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.339451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.339451 (E_RNA) where: Base-Base interactions energy: -622.621 where: short stacking energy: -270.511 Base-Backbone interact. energy: -0.489 local terms energy: -334.229453 where: bonds (distance) C4'-P energy: -74.381 bonds (distance) P-C4' energy: -76.753 flat angles C4'-P-C4' energy: -73.281 flat angles P-C4'-P energy: -58.579 tors. eta vs tors. theta energy: -51.235 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: 10, replica: 10 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -379.945315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.945315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.945315 (E_RNA) where: Base-Base interactions energy: -149.658 where: short stacking energy: -93.668 Base-Backbone interact. energy: 4.209 local terms energy: -234.496769 where: bonds (distance) C4'-P energy: -79.554 bonds (distance) P-C4' energy: -67.608 flat angles C4'-P-C4' energy: -64.372 flat angles P-C4'-P energy: -39.940 tors. eta vs tors. theta energy: 16.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1836.607618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.607618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.607618 (E_RNA) where: Base-Base interactions energy: -1290.755 where: short stacking energy: -523.270 Base-Backbone interact. energy: 0.826 local terms energy: -546.678948 where: bonds (distance) C4'-P energy: -103.299 bonds (distance) P-C4' energy: -96.933 flat angles C4'-P-C4' energy: -107.332 flat angles P-C4'-P energy: -77.729 tors. eta vs tors. theta energy: -161.386 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: 8 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1757.617257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.617257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.617257 (E_RNA) where: Base-Base interactions energy: -1220.205 where: short stacking energy: -492.298 Base-Backbone interact. energy: -2.944 local terms energy: -534.468538 where: bonds (distance) C4'-P energy: -97.022 bonds (distance) P-C4' energy: -97.896 flat angles C4'-P-C4' energy: -106.733 flat angles P-C4'-P energy: -80.255 tors. eta vs tors. theta energy: -152.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1617.811434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.811434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.811434 (E_RNA) where: Base-Base interactions energy: -1125.553 where: short stacking energy: -448.001 Base-Backbone interact. energy: -1.312 local terms energy: -490.945766 where: bonds (distance) C4'-P energy: -91.606 bonds (distance) P-C4' energy: -87.069 flat angles C4'-P-C4' energy: -103.819 flat angles P-C4'-P energy: -70.048 tors. eta vs tors. theta energy: -138.405 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: 4, replica: 1 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1558.490227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.490227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.490227 (E_RNA) where: Base-Base interactions energy: -1069.466 where: short stacking energy: -446.694 Base-Backbone interact. energy: -1.158 local terms energy: -487.866837 where: bonds (distance) C4'-P energy: -84.023 bonds (distance) P-C4' energy: -90.911 flat angles C4'-P-C4' energy: -108.942 flat angles P-C4'-P energy: -72.588 tors. eta vs tors. theta energy: -131.403 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: 129 Temperature: 1.100000 Total energy: -1540.964383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.964383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.964383 (E_RNA) where: Base-Base interactions energy: -1071.501 where: short stacking energy: -434.918 Base-Backbone interact. energy: -0.710 local terms energy: -468.753272 where: bonds (distance) C4'-P energy: -81.608 bonds (distance) P-C4' energy: -81.747 flat angles C4'-P-C4' energy: -97.168 flat angles P-C4'-P energy: -76.166 tors. eta vs tors. theta energy: -132.065 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: 9 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1401.464352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.464352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.464352 (E_RNA) where: Base-Base interactions energy: -965.848 where: short stacking energy: -371.437 Base-Backbone interact. energy: -1.278 local terms energy: -434.338471 where: bonds (distance) C4'-P energy: -72.124 bonds (distance) P-C4' energy: -86.134 flat angles C4'-P-C4' energy: -109.129 flat angles P-C4'-P energy: -62.693 tors. eta vs tors. theta energy: -104.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1359.202331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.202331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.202331 (E_RNA) where: Base-Base interactions energy: -945.690 where: short stacking energy: -397.305 Base-Backbone interact. energy: -1.170 local terms energy: -412.341678 where: bonds (distance) C4'-P energy: -77.870 bonds (distance) P-C4' energy: -81.147 flat angles C4'-P-C4' energy: -83.751 flat angles P-C4'-P energy: -61.781 tors. eta vs tors. theta energy: -107.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1234.532649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.532649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.532649 (E_RNA) where: Base-Base interactions energy: -837.807 where: short stacking energy: -361.240 Base-Backbone interact. energy: -1.804 local terms energy: -394.921254 where: bonds (distance) C4'-P energy: -69.862 bonds (distance) P-C4' energy: -94.568 flat angles C4'-P-C4' energy: -88.304 flat angles P-C4'-P energy: -49.061 tors. eta vs tors. theta energy: -93.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -989.592980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.592980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.592980 (E_RNA) where: Base-Base interactions energy: -641.377 where: short stacking energy: -259.926 Base-Backbone interact. energy: -0.500 local terms energy: -347.716136 where: bonds (distance) C4'-P energy: -76.824 bonds (distance) P-C4' energy: -81.531 flat angles C4'-P-C4' energy: -71.970 flat angles P-C4'-P energy: -51.122 tors. eta vs tors. theta energy: -66.268 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: 10, replica: 10 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -382.736291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.736291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.736291 (E_RNA) where: Base-Base interactions energy: -136.268 where: short stacking energy: -97.827 Base-Backbone interact. energy: 4.109 local terms energy: -250.577051 where: bonds (distance) C4'-P energy: -85.976 bonds (distance) P-C4' energy: -81.240 flat angles C4'-P-C4' energy: -57.300 flat angles P-C4'-P energy: -39.713 tors. eta vs tors. theta energy: 13.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1836.490299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.490299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.490299 (E_RNA) where: Base-Base interactions energy: -1296.752 where: short stacking energy: -529.014 Base-Backbone interact. energy: -0.498 local terms energy: -539.240455 where: bonds (distance) C4'-P energy: -82.817 bonds (distance) P-C4' energy: -94.726 flat angles C4'-P-C4' energy: -111.641 flat angles P-C4'-P energy: -86.279 tors. eta vs tors. theta energy: -163.776 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: 8 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1726.932576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.932576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.932576 (E_RNA) where: Base-Base interactions energy: -1191.372 where: short stacking energy: -476.974 Base-Backbone interact. energy: -0.601 local terms energy: -534.960051 where: bonds (distance) C4'-P energy: -94.998 bonds (distance) P-C4' energy: -97.587 flat angles C4'-P-C4' energy: -113.103 flat angles P-C4'-P energy: -83.716 tors. eta vs tors. theta energy: -145.555 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: 4 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1611.463781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.463781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.463781 (E_RNA) where: Base-Base interactions energy: -1108.316 where: short stacking energy: -435.823 Base-Backbone interact. energy: -2.544 local terms energy: -500.603770 where: bonds (distance) C4'-P energy: -94.743 bonds (distance) P-C4' energy: -89.157 flat angles C4'-P-C4' energy: -102.590 flat angles P-C4'-P energy: -75.884 tors. eta vs tors. theta energy: -138.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1544.244994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.244994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.244994 (E_RNA) where: Base-Base interactions energy: -1068.490 where: short stacking energy: -451.757 Base-Backbone interact. energy: -1.040 local terms energy: -474.715283 where: bonds (distance) C4'-P energy: -92.396 bonds (distance) P-C4' energy: -80.970 flat angles C4'-P-C4' energy: -108.319 flat angles P-C4'-P energy: -69.221 tors. eta vs tors. theta energy: -123.808 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: 5, replica: 2 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1548.089397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.089397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.089397 (E_RNA) where: Base-Base interactions energy: -1060.868 where: short stacking energy: -421.870 Base-Backbone interact. energy: 0.232 local terms energy: -487.452819 where: bonds (distance) C4'-P energy: -94.051 bonds (distance) P-C4' energy: -84.503 flat angles C4'-P-C4' energy: -113.283 flat angles P-C4'-P energy: -71.196 tors. eta vs tors. theta energy: -124.419 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: 9 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1380.143793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.143793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.143793 (E_RNA) where: Base-Base interactions energy: -915.744 where: short stacking energy: -385.141 Base-Backbone interact. energy: -1.786 local terms energy: -462.614043 where: bonds (distance) C4'-P energy: -90.940 bonds (distance) P-C4' energy: -100.792 flat angles C4'-P-C4' energy: -105.817 flat angles P-C4'-P energy: -65.180 tors. eta vs tors. theta energy: -99.885 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: 6 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1352.687677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.687677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.687677 (E_RNA) where: Base-Base interactions energy: -929.577 where: short stacking energy: -413.357 Base-Backbone interact. energy: 5.921 local terms energy: -429.032504 where: bonds (distance) C4'-P energy: -65.776 bonds (distance) P-C4' energy: -91.402 flat angles C4'-P-C4' energy: -92.079 flat angles P-C4'-P energy: -60.162 tors. eta vs tors. theta energy: -119.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1193.334392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.334392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.334392 (E_RNA) where: Base-Base interactions energy: -791.254 where: short stacking energy: -334.590 Base-Backbone interact. energy: -0.250 local terms energy: -401.831173 where: bonds (distance) C4'-P energy: -76.511 bonds (distance) P-C4' energy: -86.588 flat angles C4'-P-C4' energy: -88.317 flat angles P-C4'-P energy: -62.717 tors. eta vs tors. theta energy: -87.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -988.858403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.858403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.858403 (E_RNA) where: Base-Base interactions energy: -639.145 where: short stacking energy: -289.442 Base-Backbone interact. energy: 4.048 local terms energy: -353.761176 where: bonds (distance) C4'-P energy: -72.662 bonds (distance) P-C4' energy: -82.564 flat angles C4'-P-C4' energy: -70.676 flat angles P-C4'-P energy: -54.751 tors. eta vs tors. theta energy: -73.108 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: 10 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -393.944492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.944492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.944492 (E_RNA) where: Base-Base interactions energy: -143.691 where: short stacking energy: -115.371 Base-Backbone interact. energy: -0.298 local terms energy: -249.955326 where: bonds (distance) C4'-P energy: -82.059 bonds (distance) P-C4' energy: -79.674 flat angles C4'-P-C4' energy: -60.888 flat angles P-C4'-P energy: -41.306 tors. eta vs tors. theta energy: 13.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1842.532143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.532143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.532143 (E_RNA) where: Base-Base interactions energy: -1304.126 where: short stacking energy: -533.675 Base-Backbone interact. energy: 0.761 local terms energy: -539.166477 where: bonds (distance) C4'-P energy: -93.088 bonds (distance) P-C4' energy: -97.332 flat angles C4'-P-C4' energy: -112.044 flat angles P-C4'-P energy: -80.068 tors. eta vs tors. theta energy: -156.634 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: 8 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1726.792973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.792973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.792973 (E_RNA) where: Base-Base interactions energy: -1213.517 where: short stacking energy: -472.206 Base-Backbone interact. energy: 0.936 local terms energy: -514.211835 where: bonds (distance) C4'-P energy: -93.379 bonds (distance) P-C4' energy: -102.738 flat angles C4'-P-C4' energy: -102.783 flat angles P-C4'-P energy: -71.206 tors. eta vs tors. theta energy: -144.106 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: 3, replica: 4 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1626.293048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.293048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.293048 (E_RNA) where: Base-Base interactions energy: -1122.712 where: short stacking energy: -459.171 Base-Backbone interact. energy: 1.084 local terms energy: -504.664868 where: bonds (distance) C4'-P energy: -85.082 bonds (distance) P-C4' energy: -105.411 flat angles C4'-P-C4' energy: -100.859 flat angles P-C4'-P energy: -71.683 tors. eta vs tors. theta energy: -141.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1555.812149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.812149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.812149 (E_RNA) where: Base-Base interactions energy: -1095.141 where: short stacking energy: -440.525 Base-Backbone interact. energy: 0.307 local terms energy: -460.977731 where: bonds (distance) C4'-P energy: -80.075 bonds (distance) P-C4' energy: -91.247 flat angles C4'-P-C4' energy: -96.392 flat angles P-C4'-P energy: -66.981 tors. eta vs tors. theta energy: -126.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1521.280252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.280252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.280252 (E_RNA) where: Base-Base interactions energy: -1049.804 where: short stacking energy: -445.798 Base-Backbone interact. energy: 1.321 local terms energy: -472.796875 where: bonds (distance) C4'-P energy: -85.019 bonds (distance) P-C4' energy: -96.886 flat angles C4'-P-C4' energy: -104.106 flat angles P-C4'-P energy: -60.740 tors. eta vs tors. theta energy: -126.046 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: 9 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1352.924172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.924172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.924172 (E_RNA) where: Base-Base interactions energy: -906.025 where: short stacking energy: -359.743 Base-Backbone interact. energy: -0.063 local terms energy: -446.836515 where: bonds (distance) C4'-P energy: -90.731 bonds (distance) P-C4' energy: -83.672 flat angles C4'-P-C4' energy: -103.182 flat angles P-C4'-P energy: -69.020 tors. eta vs tors. theta energy: -100.232 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: 6 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1342.352564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.352564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.352564 (E_RNA) where: Base-Base interactions energy: -907.248 where: short stacking energy: -366.816 Base-Backbone interact. energy: 2.234 local terms energy: -437.338983 where: bonds (distance) C4'-P energy: -87.994 bonds (distance) P-C4' energy: -80.189 flat angles C4'-P-C4' energy: -93.872 flat angles P-C4'-P energy: -68.839 tors. eta vs tors. theta energy: -106.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1157.677969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.677969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.677969 (E_RNA) where: Base-Base interactions energy: -787.187 where: short stacking energy: -324.055 Base-Backbone interact. energy: 3.054 local terms energy: -373.544306 where: bonds (distance) C4'-P energy: -77.180 bonds (distance) P-C4' energy: -81.668 flat angles C4'-P-C4' energy: -76.637 flat angles P-C4'-P energy: -56.036 tors. eta vs tors. theta energy: -82.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -986.316639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.316639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.316639 (E_RNA) where: Base-Base interactions energy: -622.937 where: short stacking energy: -271.378 Base-Backbone interact. energy: 3.807 local terms energy: -367.186348 where: bonds (distance) C4'-P energy: -85.456 bonds (distance) P-C4' energy: -74.373 flat angles C4'-P-C4' energy: -89.251 flat angles P-C4'-P energy: -43.290 tors. eta vs tors. theta energy: -74.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -380.225077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.225077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.225077 (E_RNA) where: Base-Base interactions energy: -111.900 where: short stacking energy: -99.071 Base-Backbone interact. energy: -3.794 local terms energy: -264.530977 where: bonds (distance) C4'-P energy: -84.179 bonds (distance) P-C4' energy: -81.497 flat angles C4'-P-C4' energy: -74.588 flat angles P-C4'-P energy: -32.044 tors. eta vs tors. theta energy: 7.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1839.147165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.147165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.147165 (E_RNA) where: Base-Base interactions energy: -1294.538 where: short stacking energy: -526.177 Base-Backbone interact. energy: 0.212 local terms energy: -544.820544 where: bonds (distance) C4'-P energy: -104.920 bonds (distance) P-C4' energy: -95.387 flat angles C4'-P-C4' energy: -115.567 flat angles P-C4'-P energy: -74.330 tors. eta vs tors. theta energy: -154.617 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: 2, replica: 8 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1734.588657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.588657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.588657 (E_RNA) where: Base-Base interactions energy: -1230.810 where: short stacking energy: -497.477 Base-Backbone interact. energy: 2.206 local terms energy: -505.985281 where: bonds (distance) C4'-P energy: -81.664 bonds (distance) P-C4' energy: -91.929 flat angles C4'-P-C4' energy: -117.683 flat angles P-C4'-P energy: -70.911 tors. eta vs tors. theta energy: -143.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1615.495678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.495678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.495678 (E_RNA) where: Base-Base interactions energy: -1135.043 where: short stacking energy: -444.454 Base-Backbone interact. energy: -0.927 local terms energy: -479.525497 where: bonds (distance) C4'-P energy: -97.593 bonds (distance) P-C4' energy: -90.309 flat angles C4'-P-C4' energy: -101.428 flat angles P-C4'-P energy: -66.615 tors. eta vs tors. theta energy: -123.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1558.570852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.570852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.570852 (E_RNA) where: Base-Base interactions energy: -1102.816 where: short stacking energy: -430.029 Base-Backbone interact. energy: 2.060 local terms energy: -457.814832 where: bonds (distance) C4'-P energy: -86.997 bonds (distance) P-C4' energy: -88.868 flat angles C4'-P-C4' energy: -97.639 flat angles P-C4'-P energy: -60.152 tors. eta vs tors. theta energy: -124.159 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: 2 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1522.543420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.543420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.543420 (E_RNA) where: Base-Base interactions energy: -1037.826 where: short stacking energy: -442.587 Base-Backbone interact. energy: -1.416 local terms energy: -483.301928 where: bonds (distance) C4'-P energy: -92.888 bonds (distance) P-C4' energy: -81.974 flat angles C4'-P-C4' energy: -102.374 flat angles P-C4'-P energy: -73.574 tors. eta vs tors. theta energy: -132.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1313.157464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.157464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.157464 (E_RNA) where: Base-Base interactions energy: -862.479 where: short stacking energy: -361.224 Base-Backbone interact. energy: -0.912 local terms energy: -449.766328 where: bonds (distance) C4'-P energy: -80.404 bonds (distance) P-C4' energy: -84.956 flat angles C4'-P-C4' energy: -109.136 flat angles P-C4'-P energy: -64.116 tors. eta vs tors. theta energy: -111.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1329.118033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.118033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.118033 (E_RNA) where: Base-Base interactions energy: -911.879 where: short stacking energy: -359.738 Base-Backbone interact. energy: 1.281 local terms energy: -418.519536 where: bonds (distance) C4'-P energy: -84.149 bonds (distance) P-C4' energy: -84.475 flat angles C4'-P-C4' energy: -88.448 flat angles P-C4'-P energy: -66.870 tors. eta vs tors. theta energy: -94.578 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: 132 Temperature: 1.250000 Total energy: -1154.851617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.851617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.851617 (E_RNA) where: Base-Base interactions energy: -778.911 where: short stacking energy: -319.557 Base-Backbone interact. energy: 1.476 local terms energy: -377.416853 where: bonds (distance) C4'-P energy: -68.293 bonds (distance) P-C4' energy: -81.169 flat angles C4'-P-C4' energy: -89.298 flat angles P-C4'-P energy: -58.656 tors. eta vs tors. theta energy: -80.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -942.005257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.005257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.005257 (E_RNA) where: Base-Base interactions energy: -604.483 where: short stacking energy: -256.851 Base-Backbone interact. energy: -0.838 local terms energy: -336.683994 where: bonds (distance) C4'-P energy: -74.255 bonds (distance) P-C4' energy: -73.818 flat angles C4'-P-C4' energy: -77.820 flat angles P-C4'-P energy: -56.256 tors. eta vs tors. theta energy: -54.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -375.100183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.100183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.100183 (E_RNA) where: Base-Base interactions energy: -133.376 where: short stacking energy: -121.260 Base-Backbone interact. energy: -1.854 local terms energy: -239.869984 where: bonds (distance) C4'-P energy: -77.492 bonds (distance) P-C4' energy: -85.974 flat angles C4'-P-C4' energy: -44.696 flat angles P-C4'-P energy: -32.923 tors. eta vs tors. theta energy: 1.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1819.226161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.226161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.226161 (E_RNA) where: Base-Base interactions energy: -1282.165 where: short stacking energy: -506.955 Base-Backbone interact. energy: 0.743 local terms energy: -537.804062 where: bonds (distance) C4'-P energy: -93.952 bonds (distance) P-C4' energy: -93.519 flat angles C4'-P-C4' energy: -117.974 flat angles P-C4'-P energy: -79.881 tors. eta vs tors. theta energy: -152.478 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: 8 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1724.458532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.458532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.458532 (E_RNA) where: Base-Base interactions energy: -1199.910 where: short stacking energy: -490.192 Base-Backbone interact. energy: -0.381 local terms energy: -524.166901 where: bonds (distance) C4'-P energy: -83.082 bonds (distance) P-C4' energy: -91.554 flat angles C4'-P-C4' energy: -112.360 flat angles P-C4'-P energy: -88.960 tors. eta vs tors. theta energy: -148.210 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: 3, replica: 1 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1605.909632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.909632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.909632 (E_RNA) where: Base-Base interactions energy: -1112.647 where: short stacking energy: -454.794 Base-Backbone interact. energy: -1.320 local terms energy: -491.942442 where: bonds (distance) C4'-P energy: -97.013 bonds (distance) P-C4' energy: -69.659 flat angles C4'-P-C4' energy: -98.987 flat angles P-C4'-P energy: -83.125 tors. eta vs tors. theta energy: -143.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1579.539051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.539051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.539051 (E_RNA) where: Base-Base interactions energy: -1100.633 where: short stacking energy: -439.428 Base-Backbone interact. energy: -1.931 local terms energy: -476.975320 where: bonds (distance) C4'-P energy: -87.597 bonds (distance) P-C4' energy: -79.545 flat angles C4'-P-C4' energy: -108.110 flat angles P-C4'-P energy: -73.035 tors. eta vs tors. theta energy: -128.688 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: 5, replica: 4 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1515.856658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.856658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.856658 (E_RNA) where: Base-Base interactions energy: -1058.782 where: short stacking energy: -425.750 Base-Backbone interact. energy: -3.683 local terms energy: -453.391866 where: bonds (distance) C4'-P energy: -83.383 bonds (distance) P-C4' energy: -91.792 flat angles C4'-P-C4' energy: -96.643 flat angles P-C4'-P energy: -55.539 tors. eta vs tors. theta energy: -126.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1316.813704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.813704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.813704 (E_RNA) where: Base-Base interactions energy: -894.780 where: short stacking energy: -372.640 Base-Backbone interact. energy: -0.610 local terms energy: -421.424018 where: bonds (distance) C4'-P energy: -87.093 bonds (distance) P-C4' energy: -82.191 flat angles C4'-P-C4' energy: -85.979 flat angles P-C4'-P energy: -64.081 tors. eta vs tors. theta energy: -102.081 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: 9 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1284.296349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.296349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.296349 (E_RNA) where: Base-Base interactions energy: -864.964 where: short stacking energy: -352.091 Base-Backbone interact. energy: -0.008 local terms energy: -419.324370 where: bonds (distance) C4'-P energy: -87.031 bonds (distance) P-C4' energy: -87.750 flat angles C4'-P-C4' energy: -94.739 flat angles P-C4'-P energy: -57.951 tors. eta vs tors. theta energy: -91.854 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: 133 Temperature: 1.250000 Total energy: -1126.706488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.706488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.706488 (E_RNA) where: Base-Base interactions energy: -753.974 where: short stacking energy: -314.832 Base-Backbone interact. energy: -2.259 local terms energy: -370.473810 where: bonds (distance) C4'-P energy: -79.345 bonds (distance) P-C4' energy: -75.396 flat angles C4'-P-C4' energy: -78.114 flat angles P-C4'-P energy: -62.996 tors. eta vs tors. theta energy: -74.623 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: 7 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -1000.696781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.696781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.696781 (E_RNA) where: Base-Base interactions energy: -643.105 where: short stacking energy: -281.192 Base-Backbone interact. energy: -0.448 local terms energy: -357.143961 where: bonds (distance) C4'-P energy: -79.558 bonds (distance) P-C4' energy: -66.759 flat angles C4'-P-C4' energy: -86.786 flat angles P-C4'-P energy: -52.168 tors. eta vs tors. theta energy: -71.873 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: 10, replica: 10 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -384.184851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.184851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.184851 (E_RNA) where: Base-Base interactions energy: -126.401 where: short stacking energy: -104.740 Base-Backbone interact. energy: 0.588 local terms energy: -258.372570 where: bonds (distance) C4'-P energy: -74.210 bonds (distance) P-C4' energy: -69.765 flat angles C4'-P-C4' energy: -76.432 flat angles P-C4'-P energy: -48.596 tors. eta vs tors. theta energy: 10.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1825.494624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.494624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.494624 (E_RNA) where: Base-Base interactions energy: -1270.702 where: short stacking energy: -524.601 Base-Backbone interact. energy: 0.044 local terms energy: -554.837567 where: bonds (distance) C4'-P energy: -101.705 bonds (distance) P-C4' energy: -98.869 flat angles C4'-P-C4' energy: -114.477 flat angles P-C4'-P energy: -74.951 tors. eta vs tors. theta energy: -164.836 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: 8 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1747.064736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.064736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.064736 (E_RNA) where: Base-Base interactions energy: -1247.768 where: short stacking energy: -491.667 Base-Backbone interact. energy: -1.315 local terms energy: -497.981427 where: bonds (distance) C4'-P energy: -82.980 bonds (distance) P-C4' energy: -90.877 flat angles C4'-P-C4' energy: -102.817 flat angles P-C4'-P energy: -77.191 tors. eta vs tors. theta energy: -144.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1637.831955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.831955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.831955 (E_RNA) where: Base-Base interactions energy: -1133.681 where: short stacking energy: -446.827 Base-Backbone interact. energy: 1.026 local terms energy: -505.177693 where: bonds (distance) C4'-P energy: -93.862 bonds (distance) P-C4' energy: -90.297 flat angles C4'-P-C4' energy: -109.637 flat angles P-C4'-P energy: -77.642 tors. eta vs tors. theta energy: -133.740 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: 2 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1564.320549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.320549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.320549 (E_RNA) where: Base-Base interactions energy: -1080.825 where: short stacking energy: -446.174 Base-Backbone interact. energy: -0.642 local terms energy: -482.854056 where: bonds (distance) C4'-P energy: -92.386 bonds (distance) P-C4' energy: -80.794 flat angles C4'-P-C4' energy: -105.344 flat angles P-C4'-P energy: -73.984 tors. eta vs tors. theta energy: -130.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1483.902538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.902538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.902538 (E_RNA) where: Base-Base interactions energy: -1025.742 where: short stacking energy: -419.501 Base-Backbone interact. energy: -1.533 local terms energy: -456.627676 where: bonds (distance) C4'-P energy: -80.465 bonds (distance) P-C4' energy: -86.281 flat angles C4'-P-C4' energy: -97.227 flat angles P-C4'-P energy: -65.450 tors. eta vs tors. theta energy: -127.205 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: 6 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1323.455788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.455788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.455788 (E_RNA) where: Base-Base interactions energy: -879.406 where: short stacking energy: -379.728 Base-Backbone interact. energy: -1.121 local terms energy: -442.928565 where: bonds (distance) C4'-P energy: -85.893 bonds (distance) P-C4' energy: -84.732 flat angles C4'-P-C4' energy: -102.665 flat angles P-C4'-P energy: -68.135 tors. eta vs tors. theta energy: -101.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1253.919579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.919579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.919579 (E_RNA) where: Base-Base interactions energy: -863.065 where: short stacking energy: -359.528 Base-Backbone interact. energy: -0.594 local terms energy: -390.260362 where: bonds (distance) C4'-P energy: -68.906 bonds (distance) P-C4' energy: -85.715 flat angles C4'-P-C4' energy: -82.467 flat angles P-C4'-P energy: -52.569 tors. eta vs tors. theta energy: -100.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1134.761999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.761999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.761999 (E_RNA) where: Base-Base interactions energy: -768.790 where: short stacking energy: -313.317 Base-Backbone interact. energy: -0.644 local terms energy: -365.328341 where: bonds (distance) C4'-P energy: -80.673 bonds (distance) P-C4' energy: -76.812 flat angles C4'-P-C4' energy: -85.570 flat angles P-C4'-P energy: -57.259 tors. eta vs tors. theta energy: -65.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -990.867403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.867403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.867403 (E_RNA) where: Base-Base interactions energy: -649.724 where: short stacking energy: -296.665 Base-Backbone interact. energy: 8.790 local terms energy: -349.933528 where: bonds (distance) C4'-P energy: -76.778 bonds (distance) P-C4' energy: -90.816 flat angles C4'-P-C4' energy: -71.808 flat angles P-C4'-P energy: -42.841 tors. eta vs tors. theta energy: -67.691 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: 10 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -362.539000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.539000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.539000 (E_RNA) where: Base-Base interactions energy: -114.251 where: short stacking energy: -96.187 Base-Backbone interact. energy: -2.204 local terms energy: -246.084084 where: bonds (distance) C4'-P energy: -70.681 bonds (distance) P-C4' energy: -60.052 flat angles C4'-P-C4' energy: -71.020 flat angles P-C4'-P energy: -45.783 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: 1, replica: 3 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1818.230513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.230513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.230513 (E_RNA) where: Base-Base interactions energy: -1275.053 where: short stacking energy: -518.519 Base-Backbone interact. energy: -1.303 local terms energy: -541.874107 where: bonds (distance) C4'-P energy: -94.651 bonds (distance) P-C4' energy: -89.934 flat angles C4'-P-C4' energy: -116.953 flat angles P-C4'-P energy: -81.805 tors. eta vs tors. theta energy: -158.531 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: 2, replica: 8 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1726.022922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.022922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.022922 (E_RNA) where: Base-Base interactions energy: -1195.308 where: short stacking energy: -485.723 Base-Backbone interact. energy: -1.012 local terms energy: -529.703447 where: bonds (distance) C4'-P energy: -100.688 bonds (distance) P-C4' energy: -92.860 flat angles C4'-P-C4' energy: -109.217 flat angles P-C4'-P energy: -76.238 tors. eta vs tors. theta energy: -150.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1639.469338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.469338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.469338 (E_RNA) where: Base-Base interactions energy: -1129.384 where: short stacking energy: -448.280 Base-Backbone interact. energy: -0.063 local terms energy: -510.022331 where: bonds (distance) C4'-P energy: -91.137 bonds (distance) P-C4' energy: -103.929 flat angles C4'-P-C4' energy: -102.938 flat angles P-C4'-P energy: -79.738 tors. eta vs tors. theta energy: -132.281 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: 2 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1587.745564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.745564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.745564 (E_RNA) where: Base-Base interactions energy: -1110.025 where: short stacking energy: -447.761 Base-Backbone interact. energy: -1.347 local terms energy: -476.373822 where: bonds (distance) C4'-P energy: -82.578 bonds (distance) P-C4' energy: -82.174 flat angles C4'-P-C4' energy: -106.350 flat angles P-C4'-P energy: -73.618 tors. eta vs tors. theta energy: -131.654 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: 5, replica: 4 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1513.365583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.365583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.365583 (E_RNA) where: Base-Base interactions energy: -1056.471 where: short stacking energy: -410.517 Base-Backbone interact. energy: -2.074 local terms energy: -454.820533 where: bonds (distance) C4'-P energy: -65.625 bonds (distance) P-C4' energy: -100.578 flat angles C4'-P-C4' energy: -97.019 flat angles P-C4'-P energy: -69.072 tors. eta vs tors. theta energy: -122.527 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: 6 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1344.774382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.774382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.774382 (E_RNA) where: Base-Base interactions energy: -894.289 where: short stacking energy: -377.069 Base-Backbone interact. energy: 0.899 local terms energy: -451.384808 where: bonds (distance) C4'-P energy: -79.492 bonds (distance) P-C4' energy: -88.567 flat angles C4'-P-C4' energy: -104.725 flat angles P-C4'-P energy: -61.902 tors. eta vs tors. theta energy: -116.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1278.528053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.528053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.528053 (E_RNA) where: Base-Base interactions energy: -870.543 where: short stacking energy: -363.039 Base-Backbone interact. energy: -1.093 local terms energy: -406.892181 where: bonds (distance) C4'-P energy: -82.289 bonds (distance) P-C4' energy: -79.601 flat angles C4'-P-C4' energy: -107.905 flat angles P-C4'-P energy: -52.034 tors. eta vs tors. theta energy: -85.063 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: 8, replica: 5 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1176.405094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.405094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.405094 (E_RNA) where: Base-Base interactions energy: -784.309 where: short stacking energy: -333.968 Base-Backbone interact. energy: -2.403 local terms energy: -389.693044 where: bonds (distance) C4'-P energy: -75.864 bonds (distance) P-C4' energy: -72.980 flat angles C4'-P-C4' energy: -88.065 flat angles P-C4'-P energy: -67.326 tors. eta vs tors. theta energy: -85.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -917.937133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.937133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.937133 (E_RNA) where: Base-Base interactions energy: -563.195 where: short stacking energy: -251.302 Base-Backbone interact. energy: 0.210 local terms energy: -354.951290 where: bonds (distance) C4'-P energy: -77.269 bonds (distance) P-C4' energy: -81.585 flat angles C4'-P-C4' energy: -87.264 flat angles P-C4'-P energy: -50.775 tors. eta vs tors. theta energy: -58.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -418.721959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.721959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.721959 (E_RNA) where: Base-Base interactions energy: -160.155 where: short stacking energy: -116.996 Base-Backbone interact. energy: -1.553 local terms energy: -257.013115 where: bonds (distance) C4'-P energy: -71.200 bonds (distance) P-C4' energy: -76.290 flat angles C4'-P-C4' energy: -59.749 flat angles P-C4'-P energy: -51.564 tors. eta vs tors. theta energy: 1.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1843.798658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.798658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.798658 (E_RNA) where: Base-Base interactions energy: -1317.412 where: short stacking energy: -530.144 Base-Backbone interact. energy: -0.731 local terms energy: -525.655717 where: bonds (distance) C4'-P energy: -94.228 bonds (distance) P-C4' energy: -95.422 flat angles C4'-P-C4' energy: -107.118 flat angles P-C4'-P energy: -70.915 tors. eta vs tors. theta energy: -157.973 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: 2, replica: 8 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1748.270486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.270486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.270486 (E_RNA) where: Base-Base interactions energy: -1232.595 where: short stacking energy: -487.251 Base-Backbone interact. energy: -1.267 local terms energy: -514.408035 where: bonds (distance) C4'-P energy: -92.176 bonds (distance) P-C4' energy: -91.232 flat angles C4'-P-C4' energy: -110.126 flat angles P-C4'-P energy: -73.524 tors. eta vs tors. theta energy: -147.350 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: 136 Temperature: 1.000000 Total energy: -1613.650341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.650341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.650341 (E_RNA) where: Base-Base interactions energy: -1122.976 where: short stacking energy: -455.830 Base-Backbone interact. energy: 0.135 local terms energy: -490.809678 where: bonds (distance) C4'-P energy: -94.960 bonds (distance) P-C4' energy: -94.607 flat angles C4'-P-C4' energy: -100.131 flat angles P-C4'-P energy: -66.505 tors. eta vs tors. theta energy: -134.607 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: 4, replica: 1 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1602.495081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.495081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.495081 (E_RNA) where: Base-Base interactions energy: -1112.654 where: short stacking energy: -451.761 Base-Backbone interact. energy: 0.933 local terms energy: -490.773941 where: bonds (distance) C4'-P energy: -91.671 bonds (distance) P-C4' energy: -90.865 flat angles C4'-P-C4' energy: -100.443 flat angles P-C4'-P energy: -74.601 tors. eta vs tors. theta energy: -133.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1494.247366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.247366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.247366 (E_RNA) where: Base-Base interactions energy: -1068.837 where: short stacking energy: -428.365 Base-Backbone interact. energy: -1.198 local terms energy: -424.212179 where: bonds (distance) C4'-P energy: -75.208 bonds (distance) P-C4' energy: -62.039 flat angles C4'-P-C4' energy: -103.791 flat angles P-C4'-P energy: -66.207 tors. eta vs tors. theta energy: -116.967 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: 6, replica: 6 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1352.959413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.959413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.959413 (E_RNA) where: Base-Base interactions energy: -949.572 where: short stacking energy: -396.350 Base-Backbone interact. energy: -0.533 local terms energy: -402.853971 where: bonds (distance) C4'-P energy: -77.042 bonds (distance) P-C4' energy: -81.525 flat angles C4'-P-C4' energy: -88.917 flat angles P-C4'-P energy: -52.724 tors. eta vs tors. theta energy: -102.645 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: 9 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1255.188173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.188173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.188173 (E_RNA) where: Base-Base interactions energy: -833.470 where: short stacking energy: -349.646 Base-Backbone interact. energy: -0.818 local terms energy: -420.899550 where: bonds (distance) C4'-P energy: -83.237 bonds (distance) P-C4' energy: -80.105 flat angles C4'-P-C4' energy: -86.367 flat angles P-C4'-P energy: -70.607 tors. eta vs tors. theta energy: -100.583 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: 5 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1177.136215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.136215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.136215 (E_RNA) where: Base-Base interactions energy: -800.762 where: short stacking energy: -349.309 Base-Backbone interact. energy: -0.861 local terms energy: -375.513415 where: bonds (distance) C4'-P energy: -75.497 bonds (distance) P-C4' energy: -81.019 flat angles C4'-P-C4' energy: -86.283 flat angles P-C4'-P energy: -51.523 tors. eta vs tors. theta energy: -81.191 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: 7 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -886.960531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.960531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.960531 (E_RNA) where: Base-Base interactions energy: -546.411 where: short stacking energy: -236.693 Base-Backbone interact. energy: -1.245 local terms energy: -339.304019 where: bonds (distance) C4'-P energy: -84.708 bonds (distance) P-C4' energy: -80.023 flat angles C4'-P-C4' energy: -87.932 flat angles P-C4'-P energy: -39.758 tors. eta vs tors. theta energy: -46.882 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: 10 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -427.845496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.845496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.845496 (E_RNA) where: Base-Base interactions energy: -164.257 where: short stacking energy: -108.523 Base-Backbone interact. energy: -1.985 local terms energy: -261.603185 where: bonds (distance) C4'-P energy: -70.801 bonds (distance) P-C4' energy: -84.924 flat angles C4'-P-C4' energy: -71.361 flat angles P-C4'-P energy: -43.859 tors. eta vs tors. theta energy: 9.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1836.463329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.463329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.463329 (E_RNA) where: Base-Base interactions energy: -1287.131 where: short stacking energy: -533.629 Base-Backbone interact. energy: 0.066 local terms energy: -549.398918 where: bonds (distance) C4'-P energy: -94.059 bonds (distance) P-C4' energy: -102.201 flat angles C4'-P-C4' energy: -108.437 flat angles P-C4'-P energy: -78.913 tors. eta vs tors. theta energy: -165.789 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: 8 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1738.129945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.129945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.129945 (E_RNA) where: Base-Base interactions energy: -1218.693 where: short stacking energy: -487.888 Base-Backbone interact. energy: 2.993 local terms energy: -522.430375 where: bonds (distance) C4'-P energy: -95.591 bonds (distance) P-C4' energy: -95.361 flat angles C4'-P-C4' energy: -105.679 flat angles P-C4'-P energy: -75.671 tors. eta vs tors. theta energy: -150.128 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: 2 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1630.077864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.077864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.077864 (E_RNA) where: Base-Base interactions energy: -1130.117 where: short stacking energy: -465.413 Base-Backbone interact. energy: -1.082 local terms energy: -498.878678 where: bonds (distance) C4'-P energy: -82.396 bonds (distance) P-C4' energy: -106.147 flat angles C4'-P-C4' energy: -106.847 flat angles P-C4'-P energy: -67.559 tors. eta vs tors. theta energy: -135.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1626.960738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.960738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.960738 (E_RNA) where: Base-Base interactions energy: -1123.867 where: short stacking energy: -459.754 Base-Backbone interact. energy: -0.596 local terms energy: -502.497912 where: bonds (distance) C4'-P energy: -94.430 bonds (distance) P-C4' energy: -99.039 flat angles C4'-P-C4' energy: -107.292 flat angles P-C4'-P energy: -66.110 tors. eta vs tors. theta energy: -135.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1496.604357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.604357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.604357 (E_RNA) where: Base-Base interactions energy: -1026.882 where: short stacking energy: -420.545 Base-Backbone interact. energy: -1.656 local terms energy: -468.066752 where: bonds (distance) C4'-P energy: -93.621 bonds (distance) P-C4' energy: -83.585 flat angles C4'-P-C4' energy: -104.549 flat angles P-C4'-P energy: -70.295 tors. eta vs tors. theta energy: -116.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1388.767740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.767740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.767740 (E_RNA) where: Base-Base interactions energy: -933.043 where: short stacking energy: -386.750 Base-Backbone interact. energy: -1.134 local terms energy: -454.591072 where: bonds (distance) C4'-P energy: -85.170 bonds (distance) P-C4' energy: -92.692 flat angles C4'-P-C4' energy: -100.424 flat angles P-C4'-P energy: -65.809 tors. eta vs tors. theta energy: -110.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1242.753989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.753989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.753989 (E_RNA) where: Base-Base interactions energy: -851.568 where: short stacking energy: -360.525 Base-Backbone interact. energy: 2.219 local terms energy: -393.405251 where: bonds (distance) C4'-P energy: -61.642 bonds (distance) P-C4' energy: -89.267 flat angles C4'-P-C4' energy: -91.221 flat angles P-C4'-P energy: -56.283 tors. eta vs tors. theta energy: -94.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1217.849289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.849289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.849289 (E_RNA) where: Base-Base interactions energy: -827.572 where: short stacking energy: -340.710 Base-Backbone interact. energy: 5.423 local terms energy: -395.700542 where: bonds (distance) C4'-P energy: -83.688 bonds (distance) P-C4' energy: -86.778 flat angles C4'-P-C4' energy: -84.337 flat angles P-C4'-P energy: -54.558 tors. eta vs tors. theta energy: -86.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -930.459436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.459436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.459436 (E_RNA) where: Base-Base interactions energy: -582.719 where: short stacking energy: -268.865 Base-Backbone interact. energy: 7.894 local terms energy: -355.634129 where: bonds (distance) C4'-P energy: -68.540 bonds (distance) P-C4' energy: -72.144 flat angles C4'-P-C4' energy: -82.807 flat angles P-C4'-P energy: -69.743 tors. eta vs tors. theta energy: -62.400 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: 10 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -400.847231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.847231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.847231 (E_RNA) where: Base-Base interactions energy: -148.156 where: short stacking energy: -115.455 Base-Backbone interact. energy: 0.056 local terms energy: -252.746826 where: bonds (distance) C4'-P energy: -64.023 bonds (distance) P-C4' energy: -77.405 flat angles C4'-P-C4' energy: -70.478 flat angles P-C4'-P energy: -38.849 tors. eta vs tors. theta energy: -1.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1772.117257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.117257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.117257 (E_RNA) where: Base-Base interactions energy: -1262.991 where: short stacking energy: -506.919 Base-Backbone interact. energy: -1.449 local terms energy: -507.676830 where: bonds (distance) C4'-P energy: -101.416 bonds (distance) P-C4' energy: -78.912 flat angles C4'-P-C4' energy: -105.744 flat angles P-C4'-P energy: -76.010 tors. eta vs tors. theta energy: -145.595 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: 3 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1788.105896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.105896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.105896 (E_RNA) where: Base-Base interactions energy: -1269.349 where: short stacking energy: -509.906 Base-Backbone interact. energy: -0.922 local terms energy: -517.834366 where: bonds (distance) C4'-P energy: -98.489 bonds (distance) P-C4' energy: -86.981 flat angles C4'-P-C4' energy: -107.900 flat angles P-C4'-P energy: -68.564 tors. eta vs tors. theta energy: -155.901 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: 2 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1616.525939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.525939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.525939 (E_RNA) where: Base-Base interactions energy: -1116.148 where: short stacking energy: -466.558 Base-Backbone interact. energy: -2.594 local terms energy: -497.784217 where: bonds (distance) C4'-P energy: -91.224 bonds (distance) P-C4' energy: -83.980 flat angles C4'-P-C4' energy: -104.895 flat angles P-C4'-P energy: -75.272 tors. eta vs tors. theta energy: -142.413 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: 138 Temperature: 1.050000 Total energy: -1578.135145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.135145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.135145 (E_RNA) where: Base-Base interactions energy: -1095.356 where: short stacking energy: -450.681 Base-Backbone interact. energy: 0.459 local terms energy: -483.238150 where: bonds (distance) C4'-P energy: -97.798 bonds (distance) P-C4' energy: -87.250 flat angles C4'-P-C4' energy: -110.620 flat angles P-C4'-P energy: -57.898 tors. eta vs tors. theta energy: -129.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1527.380693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.380693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.380693 (E_RNA) where: Base-Base interactions energy: -1057.232 where: short stacking energy: -423.973 Base-Backbone interact. energy: -0.470 local terms energy: -469.679350 where: bonds (distance) C4'-P energy: -74.370 bonds (distance) P-C4' energy: -97.199 flat angles C4'-P-C4' energy: -97.681 flat angles P-C4'-P energy: -63.861 tors. eta vs tors. theta energy: -136.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1380.614997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.614997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.614997 (E_RNA) where: Base-Base interactions energy: -940.444 where: short stacking energy: -402.924 Base-Backbone interact. energy: 2.281 local terms energy: -442.452096 where: bonds (distance) C4'-P energy: -87.670 bonds (distance) P-C4' energy: -74.240 flat angles C4'-P-C4' energy: -87.711 flat angles P-C4'-P energy: -73.450 tors. eta vs tors. theta energy: -119.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1286.454940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.454940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.454940 (E_RNA) where: Base-Base interactions energy: -850.384 where: short stacking energy: -350.115 Base-Backbone interact. energy: -0.991 local terms energy: -435.079484 where: bonds (distance) C4'-P energy: -93.525 bonds (distance) P-C4' energy: -96.461 flat angles C4'-P-C4' energy: -82.861 flat angles P-C4'-P energy: -66.269 tors. eta vs tors. theta energy: -95.963 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: 9 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1211.443632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.443632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.443632 (E_RNA) where: Base-Base interactions energy: -841.014 where: short stacking energy: -342.088 Base-Backbone interact. energy: 0.564 local terms energy: -370.993276 where: bonds (distance) C4'-P energy: -71.308 bonds (distance) P-C4' energy: -75.048 flat angles C4'-P-C4' energy: -89.094 flat angles P-C4'-P energy: -39.800 tors. eta vs tors. theta energy: -95.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -941.930772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.930772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.930772 (E_RNA) where: Base-Base interactions energy: -582.280 where: short stacking energy: -263.642 Base-Backbone interact. energy: -2.010 local terms energy: -357.640815 where: bonds (distance) C4'-P energy: -82.187 bonds (distance) P-C4' energy: -85.716 flat angles C4'-P-C4' energy: -77.800 flat angles P-C4'-P energy: -50.758 tors. eta vs tors. theta energy: -61.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -374.515015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.515015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.515015 (E_RNA) where: Base-Base interactions energy: -151.740 where: short stacking energy: -84.992 Base-Backbone interact. energy: 0.142 local terms energy: -222.916470 where: bonds (distance) C4'-P energy: -82.010 bonds (distance) P-C4' energy: -90.034 flat angles C4'-P-C4' energy: -41.061 flat angles P-C4'-P energy: -38.456 tors. eta vs tors. theta energy: 28.644 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: 8 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1788.474915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.474915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.474915 (E_RNA) where: Base-Base interactions energy: -1257.438 where: short stacking energy: -508.016 Base-Backbone interact. energy: 0.972 local terms energy: -532.008761 where: bonds (distance) C4'-P energy: -104.774 bonds (distance) P-C4' energy: -84.862 flat angles C4'-P-C4' energy: -111.004 flat angles P-C4'-P energy: -81.535 tors. eta vs tors. theta energy: -149.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1777.458591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.458591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.458591 (E_RNA) where: Base-Base interactions energy: -1242.540 where: short stacking energy: -509.025 Base-Backbone interact. energy: 0.136 local terms energy: -535.055303 where: bonds (distance) C4'-P energy: -87.606 bonds (distance) P-C4' energy: -105.418 flat angles C4'-P-C4' energy: -107.707 flat angles P-C4'-P energy: -77.356 tors. eta vs tors. theta energy: -156.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1647.330660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.330660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.330660 (E_RNA) where: Base-Base interactions energy: -1127.384 where: short stacking energy: -479.663 Base-Backbone interact. energy: -0.872 local terms energy: -519.074820 where: bonds (distance) C4'-P energy: -94.146 bonds (distance) P-C4' energy: -95.971 flat angles C4'-P-C4' energy: -110.192 flat angles P-C4'-P energy: -70.345 tors. eta vs tors. theta energy: -148.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1583.598714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.598714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.598714 (E_RNA) where: Base-Base interactions energy: -1096.041 where: short stacking energy: -459.261 Base-Backbone interact. energy: -1.806 local terms energy: -485.751662 where: bonds (distance) C4'-P energy: -82.738 bonds (distance) P-C4' energy: -92.111 flat angles C4'-P-C4' energy: -110.200 flat angles P-C4'-P energy: -68.487 tors. eta vs tors. theta energy: -132.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1535.349417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.349417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.349417 (E_RNA) where: Base-Base interactions energy: -1072.725 where: short stacking energy: -431.194 Base-Backbone interact. energy: 1.285 local terms energy: -463.909232 where: bonds (distance) C4'-P energy: -89.884 bonds (distance) P-C4' energy: -93.467 flat angles C4'-P-C4' energy: -101.788 flat angles P-C4'-P energy: -63.469 tors. eta vs tors. theta energy: -115.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1378.649651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.649651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.649651 (E_RNA) where: Base-Base interactions energy: -925.345 where: short stacking energy: -389.310 Base-Backbone interact. energy: -1.577 local terms energy: -451.727637 where: bonds (distance) C4'-P energy: -86.977 bonds (distance) P-C4' energy: -72.576 flat angles C4'-P-C4' energy: -94.141 flat angles P-C4'-P energy: -73.166 tors. eta vs tors. theta energy: -124.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1256.139276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.139276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.139276 (E_RNA) where: Base-Base interactions energy: -852.320 where: short stacking energy: -375.002 Base-Backbone interact. energy: -1.803 local terms energy: -402.016101 where: bonds (distance) C4'-P energy: -77.237 bonds (distance) P-C4' energy: -74.714 flat angles C4'-P-C4' energy: -90.087 flat angles P-C4'-P energy: -69.612 tors. eta vs tors. theta energy: -90.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1177.522899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.522899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.522899 (E_RNA) where: Base-Base interactions energy: -776.233 where: short stacking energy: -327.237 Base-Backbone interact. energy: -1.716 local terms energy: -399.573578 where: bonds (distance) C4'-P energy: -76.818 bonds (distance) P-C4' energy: -85.945 flat angles C4'-P-C4' energy: -98.652 flat angles P-C4'-P energy: -58.164 tors. eta vs tors. theta energy: -79.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -921.614460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.614460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.614460 (E_RNA) where: Base-Base interactions energy: -584.349 where: short stacking energy: -248.654 Base-Backbone interact. energy: -2.849 local terms energy: -334.416856 where: bonds (distance) C4'-P energy: -89.739 bonds (distance) P-C4' energy: -68.396 flat angles C4'-P-C4' energy: -87.514 flat angles P-C4'-P energy: -36.695 tors. eta vs tors. theta energy: -52.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -398.421338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.421338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.421338 (E_RNA) where: Base-Base interactions energy: -159.545 where: short stacking energy: -99.455 Base-Backbone interact. energy: 3.836 local terms energy: -242.712815 where: bonds (distance) C4'-P energy: -63.830 bonds (distance) P-C4' energy: -88.417 flat angles C4'-P-C4' energy: -62.204 flat angles P-C4'-P energy: -41.915 tors. eta vs tors. theta energy: 13.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1832.367255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.367255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.367255 (E_RNA) where: Base-Base interactions energy: -1280.215 where: short stacking energy: -507.897 Base-Backbone interact. energy: -0.871 local terms energy: -551.281187 where: bonds (distance) C4'-P energy: -94.352 bonds (distance) P-C4' energy: -98.103 flat angles C4'-P-C4' energy: -109.950 flat angles P-C4'-P energy: -88.264 tors. eta vs tors. theta energy: -160.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1765.513065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.513065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.513065 (E_RNA) where: Base-Base interactions energy: -1231.356 where: short stacking energy: -509.411 Base-Backbone interact. energy: -0.689 local terms energy: -533.467645 where: bonds (distance) C4'-P energy: -97.448 bonds (distance) P-C4' energy: -99.225 flat angles C4'-P-C4' energy: -113.736 flat angles P-C4'-P energy: -73.934 tors. eta vs tors. theta energy: -149.124 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: 3, replica: 1 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1601.471699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.471699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.471699 (E_RNA) where: Base-Base interactions energy: -1125.341 where: short stacking energy: -452.851 Base-Backbone interact. energy: -1.153 local terms energy: -474.977501 where: bonds (distance) C4'-P energy: -77.196 bonds (distance) P-C4' energy: -96.467 flat angles C4'-P-C4' energy: -101.229 flat angles P-C4'-P energy: -71.371 tors. eta vs tors. theta energy: -128.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1587.091323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.091323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.091323 (E_RNA) where: Base-Base interactions energy: -1084.664 where: short stacking energy: -443.725 Base-Backbone interact. energy: -1.099 local terms energy: -501.328358 where: bonds (distance) C4'-P energy: -88.386 bonds (distance) P-C4' energy: -79.717 flat angles C4'-P-C4' energy: -112.904 flat angles P-C4'-P energy: -78.898 tors. eta vs tors. theta energy: -141.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1490.206403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.206403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.206403 (E_RNA) where: Base-Base interactions energy: -1039.961 where: short stacking energy: -408.806 Base-Backbone interact. energy: 1.836 local terms energy: -452.081709 where: bonds (distance) C4'-P energy: -78.264 bonds (distance) P-C4' energy: -92.258 flat angles C4'-P-C4' energy: -105.136 flat angles P-C4'-P energy: -61.329 tors. eta vs tors. theta energy: -115.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1391.746661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.746661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.746661 (E_RNA) where: Base-Base interactions energy: -948.953 where: short stacking energy: -392.498 Base-Backbone interact. energy: -0.508 local terms energy: -442.285895 where: bonds (distance) C4'-P energy: -77.051 bonds (distance) P-C4' energy: -90.942 flat angles C4'-P-C4' energy: -99.166 flat angles P-C4'-P energy: -56.757 tors. eta vs tors. theta energy: -118.370 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: 5 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1256.531792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.531792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.531792 (E_RNA) where: Base-Base interactions energy: -874.510 where: short stacking energy: -363.087 Base-Backbone interact. energy: -2.096 local terms energy: -379.925579 where: bonds (distance) C4'-P energy: -61.944 bonds (distance) P-C4' energy: -70.443 flat angles C4'-P-C4' energy: -96.492 flat angles P-C4'-P energy: -54.971 tors. eta vs tors. theta energy: -96.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1176.178956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.178956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.178956 (E_RNA) where: Base-Base interactions energy: -776.570 where: short stacking energy: -345.481 Base-Backbone interact. energy: 3.311 local terms energy: -402.919745 where: bonds (distance) C4'-P energy: -73.620 bonds (distance) P-C4' energy: -84.817 flat angles C4'-P-C4' energy: -106.584 flat angles P-C4'-P energy: -43.416 tors. eta vs tors. theta energy: -94.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -926.940084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.940084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.940084 (E_RNA) where: Base-Base interactions energy: -584.546 where: short stacking energy: -216.314 Base-Backbone interact. energy: 0.285 local terms energy: -342.678926 where: bonds (distance) C4'-P energy: -70.876 bonds (distance) P-C4' energy: -91.148 flat angles C4'-P-C4' energy: -83.477 flat angles P-C4'-P energy: -56.102 tors. eta vs tors. theta energy: -41.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -371.201491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.201491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.201491 (E_RNA) where: Base-Base interactions energy: -131.066 where: short stacking energy: -107.780 Base-Backbone interact. energy: 3.544 local terms energy: -243.679987 where: bonds (distance) C4'-P energy: -86.679 bonds (distance) P-C4' energy: -65.085 flat angles C4'-P-C4' energy: -62.059 flat angles P-C4'-P energy: -45.873 tors. eta vs tors. theta energy: 16.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1835.249593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.249593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.249593 (E_RNA) where: Base-Base interactions energy: -1279.285 where: short stacking energy: -521.934 Base-Backbone interact. energy: 1.267 local terms energy: -557.231749 where: bonds (distance) C4'-P energy: -103.435 bonds (distance) P-C4' energy: -88.595 flat angles C4'-P-C4' energy: -117.185 flat angles P-C4'-P energy: -87.665 tors. eta vs tors. theta energy: -160.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1745.094243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.094243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.094243 (E_RNA) where: Base-Base interactions energy: -1229.256 where: short stacking energy: -489.985 Base-Backbone interact. energy: -0.650 local terms energy: -515.188635 where: bonds (distance) C4'-P energy: -88.802 bonds (distance) P-C4' energy: -91.852 flat angles C4'-P-C4' energy: -107.698 flat angles P-C4'-P energy: -77.707 tors. eta vs tors. theta energy: -149.128 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: 1 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1609.920078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.920078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.920078 (E_RNA) where: Base-Base interactions energy: -1107.844 where: short stacking energy: -455.134 Base-Backbone interact. energy: -0.490 local terms energy: -501.586060 where: bonds (distance) C4'-P energy: -86.588 bonds (distance) P-C4' energy: -94.734 flat angles C4'-P-C4' energy: -114.455 flat angles P-C4'-P energy: -72.620 tors. eta vs tors. theta energy: -133.189 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: 4 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1534.209881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.209881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.209881 (E_RNA) where: Base-Base interactions energy: -1050.667 where: short stacking energy: -411.882 Base-Backbone interact. energy: -0.977 local terms energy: -482.566263 where: bonds (distance) C4'-P energy: -89.647 bonds (distance) P-C4' energy: -89.733 flat angles C4'-P-C4' energy: -101.379 flat angles P-C4'-P energy: -74.972 tors. eta vs tors. theta energy: -126.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1551.141575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.141575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.141575 (E_RNA) where: Base-Base interactions energy: -1088.990 where: short stacking energy: -421.936 Base-Backbone interact. energy: -1.305 local terms energy: -460.847312 where: bonds (distance) C4'-P energy: -79.637 bonds (distance) P-C4' energy: -98.533 flat angles C4'-P-C4' energy: -97.284 flat angles P-C4'-P energy: -63.328 tors. eta vs tors. theta energy: -122.065 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: 141 Temperature: 1.150000 Total energy: -1431.963257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.963257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.963257 (E_RNA) where: Base-Base interactions energy: -971.111 where: short stacking energy: -414.131 Base-Backbone interact. energy: -1.065 local terms energy: -459.787263 where: bonds (distance) C4'-P energy: -87.330 bonds (distance) P-C4' energy: -88.327 flat angles C4'-P-C4' energy: -104.938 flat angles P-C4'-P energy: -55.930 tors. eta vs tors. theta energy: -123.262 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: 5 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1272.112571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.112571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.112571 (E_RNA) where: Base-Base interactions energy: -859.379 where: short stacking energy: -374.840 Base-Backbone interact. energy: 1.287 local terms energy: -414.020681 where: bonds (distance) C4'-P energy: -62.318 bonds (distance) P-C4' energy: -91.258 flat angles C4'-P-C4' energy: -88.277 flat angles P-C4'-P energy: -66.961 tors. eta vs tors. theta energy: -105.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1151.274438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.274438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.274438 (E_RNA) where: Base-Base interactions energy: -789.661 where: short stacking energy: -332.973 Base-Backbone interact. energy: -1.882 local terms energy: -359.732055 where: bonds (distance) C4'-P energy: -73.827 bonds (distance) P-C4' energy: -90.415 flat angles C4'-P-C4' energy: -78.843 flat angles P-C4'-P energy: -42.283 tors. eta vs tors. theta energy: -74.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -961.804265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.804265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.804265 (E_RNA) where: Base-Base interactions energy: -618.306 where: short stacking energy: -284.550 Base-Backbone interact. energy: -2.322 local terms energy: -341.175777 where: bonds (distance) C4'-P energy: -78.773 bonds (distance) P-C4' energy: -79.881 flat angles C4'-P-C4' energy: -75.802 flat angles P-C4'-P energy: -50.911 tors. eta vs tors. theta energy: -55.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -403.358362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.358362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.358362 (E_RNA) where: Base-Base interactions energy: -133.356 where: short stacking energy: -100.529 Base-Backbone interact. energy: -2.096 local terms energy: -267.906876 where: bonds (distance) C4'-P energy: -83.181 bonds (distance) P-C4' energy: -89.012 flat angles C4'-P-C4' energy: -77.031 flat angles P-C4'-P energy: -28.390 tors. eta vs tors. theta energy: 9.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1748.977705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.977705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.977705 (E_RNA) where: Base-Base interactions energy: -1209.729 where: short stacking energy: -477.357 Base-Backbone interact. energy: 2.039 local terms energy: -541.287986 where: bonds (distance) C4'-P energy: -92.418 bonds (distance) P-C4' energy: -105.443 flat angles C4'-P-C4' energy: -109.468 flat angles P-C4'-P energy: -86.483 tors. eta vs tors. theta energy: -147.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1799.144886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.144886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.144886 (E_RNA) where: Base-Base interactions energy: -1255.148 where: short stacking energy: -500.553 Base-Backbone interact. energy: -1.244 local terms energy: -542.753208 where: bonds (distance) C4'-P energy: -90.575 bonds (distance) P-C4' energy: -91.875 flat angles C4'-P-C4' energy: -113.159 flat angles P-C4'-P energy: -83.670 tors. eta vs tors. theta energy: -163.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1614.552433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.552433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.552433 (E_RNA) where: Base-Base interactions energy: -1094.381 where: short stacking energy: -455.436 Base-Backbone interact. energy: -0.154 local terms energy: -520.017819 where: bonds (distance) C4'-P energy: -102.930 bonds (distance) P-C4' energy: -91.324 flat angles C4'-P-C4' energy: -114.117 flat angles P-C4'-P energy: -79.950 tors. eta vs tors. theta energy: -131.697 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: 4 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1568.320656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.320656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.320656 (E_RNA) where: Base-Base interactions energy: -1096.077 where: short stacking energy: -453.107 Base-Backbone interact. energy: -2.676 local terms energy: -469.567703 where: bonds (distance) C4'-P energy: -68.635 bonds (distance) P-C4' energy: -92.950 flat angles C4'-P-C4' energy: -101.762 flat angles P-C4'-P energy: -69.398 tors. eta vs tors. theta energy: -136.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1560.250424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.250424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.250424 (E_RNA) where: Base-Base interactions energy: -1100.344 where: short stacking energy: -449.023 Base-Backbone interact. energy: -0.135 local terms energy: -459.771335 where: bonds (distance) C4'-P energy: -94.669 bonds (distance) P-C4' energy: -81.077 flat angles C4'-P-C4' energy: -90.594 flat angles P-C4'-P energy: -66.241 tors. eta vs tors. theta energy: -127.191 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: 6 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1406.839489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.839489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.839489 (E_RNA) where: Base-Base interactions energy: -972.074 where: short stacking energy: -409.286 Base-Backbone interact. energy: 1.610 local terms energy: -436.375394 where: bonds (distance) C4'-P energy: -71.277 bonds (distance) P-C4' energy: -88.789 flat angles C4'-P-C4' energy: -97.608 flat angles P-C4'-P energy: -63.934 tors. eta vs tors. theta energy: -114.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1283.837422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.837422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.837422 (E_RNA) where: Base-Base interactions energy: -878.575 where: short stacking energy: -367.897 Base-Backbone interact. energy: 0.535 local terms energy: -405.797828 where: bonds (distance) C4'-P energy: -70.934 bonds (distance) P-C4' energy: -97.121 flat angles C4'-P-C4' energy: -89.821 flat angles P-C4'-P energy: -56.753 tors. eta vs tors. theta energy: -91.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1156.002826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.002826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.002826 (E_RNA) where: Base-Base interactions energy: -773.388 where: short stacking energy: -321.150 Base-Backbone interact. energy: -1.540 local terms energy: -381.075133 where: bonds (distance) C4'-P energy: -75.964 bonds (distance) P-C4' energy: -82.700 flat angles C4'-P-C4' energy: -93.676 flat angles P-C4'-P energy: -59.671 tors. eta vs tors. theta energy: -69.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -985.512080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.512080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.512080 (E_RNA) where: Base-Base interactions energy: -643.363 where: short stacking energy: -275.622 Base-Backbone interact. energy: 0.852 local terms energy: -343.000768 where: bonds (distance) C4'-P energy: -60.709 bonds (distance) P-C4' energy: -78.334 flat angles C4'-P-C4' energy: -95.648 flat angles P-C4'-P energy: -47.434 tors. eta vs tors. theta energy: -60.876 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: 10 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -367.412028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.412028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.412028 (E_RNA) where: Base-Base interactions energy: -140.340 where: short stacking energy: -107.086 Base-Backbone interact. energy: 3.077 local terms energy: -230.148747 where: bonds (distance) C4'-P energy: -83.597 bonds (distance) P-C4' energy: -64.228 flat angles C4'-P-C4' energy: -60.510 flat angles P-C4'-P energy: -40.503 tors. eta vs tors. theta energy: 18.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1781.447551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.447551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.447551 (E_RNA) where: Base-Base interactions energy: -1221.988 where: short stacking energy: -499.992 Base-Backbone interact. energy: -1.345 local terms energy: -558.115213 where: bonds (distance) C4'-P energy: -108.305 bonds (distance) P-C4' energy: -98.456 flat angles C4'-P-C4' energy: -120.909 flat angles P-C4'-P energy: -81.559 tors. eta vs tors. theta energy: -148.886 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: 2, replica: 3 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1795.644650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.644650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.644650 (E_RNA) where: Base-Base interactions energy: -1258.812 where: short stacking energy: -490.810 Base-Backbone interact. energy: -0.403 local terms energy: -536.430572 where: bonds (distance) C4'-P energy: -100.477 bonds (distance) P-C4' energy: -97.205 flat angles C4'-P-C4' energy: -109.628 flat angles P-C4'-P energy: -79.489 tors. eta vs tors. theta energy: -149.631 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: 143 Temperature: 1.000000 Total energy: -1632.285964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.285964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.285964 (E_RNA) where: Base-Base interactions energy: -1130.086 where: short stacking energy: -462.110 Base-Backbone interact. energy: 0.864 local terms energy: -503.063939 where: bonds (distance) C4'-P energy: -89.144 bonds (distance) P-C4' energy: -92.137 flat angles C4'-P-C4' energy: -101.920 flat angles P-C4'-P energy: -80.574 tors. eta vs tors. theta energy: -139.288 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: 143 Temperature: 1.050000 Total energy: -1578.823709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.823709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.823709 (E_RNA) where: Base-Base interactions energy: -1094.923 where: short stacking energy: -429.099 Base-Backbone interact. energy: 1.367 local terms energy: -485.267997 where: bonds (distance) C4'-P energy: -90.260 bonds (distance) P-C4' energy: -96.038 flat angles C4'-P-C4' energy: -101.044 flat angles P-C4'-P energy: -69.966 tors. eta vs tors. theta energy: -127.960 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: 4 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1538.530198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.530198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.530198 (E_RNA) where: Base-Base interactions energy: -1074.709 where: short stacking energy: -435.501 Base-Backbone interact. energy: -1.135 local terms energy: -462.686792 where: bonds (distance) C4'-P energy: -80.506 bonds (distance) P-C4' energy: -81.354 flat angles C4'-P-C4' energy: -100.518 flat angles P-C4'-P energy: -70.023 tors. eta vs tors. theta energy: -130.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1376.737490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.737490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.737490 (E_RNA) where: Base-Base interactions energy: -920.683 where: short stacking energy: -395.056 Base-Backbone interact. energy: -1.044 local terms energy: -455.010240 where: bonds (distance) C4'-P energy: -82.559 bonds (distance) P-C4' energy: -96.417 flat angles C4'-P-C4' energy: -94.792 flat angles P-C4'-P energy: -61.190 tors. eta vs tors. theta energy: -120.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1273.002607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.002607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.002607 (E_RNA) where: Base-Base interactions energy: -874.331 where: short stacking energy: -368.016 Base-Backbone interact. energy: 2.760 local terms energy: -401.431477 where: bonds (distance) C4'-P energy: -67.205 bonds (distance) P-C4' energy: -84.478 flat angles C4'-P-C4' energy: -95.225 flat angles P-C4'-P energy: -55.554 tors. eta vs tors. theta energy: -98.969 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: 8, replica: 9 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1140.890238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.890238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.890238 (E_RNA) where: Base-Base interactions energy: -765.605 where: short stacking energy: -322.413 Base-Backbone interact. energy: 1.510 local terms energy: -376.794866 where: bonds (distance) C4'-P energy: -74.401 bonds (distance) P-C4' energy: -79.262 flat angles C4'-P-C4' energy: -82.412 flat angles P-C4'-P energy: -62.817 tors. eta vs tors. theta energy: -77.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -973.116032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.116032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.116032 (E_RNA) where: Base-Base interactions energy: -644.268 where: short stacking energy: -284.529 Base-Backbone interact. energy: 2.782 local terms energy: -331.629842 where: bonds (distance) C4'-P energy: -81.798 bonds (distance) P-C4' energy: -68.872 flat angles C4'-P-C4' energy: -72.508 flat angles P-C4'-P energy: -46.555 tors. eta vs tors. theta energy: -61.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -395.714810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.714810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.714810 (E_RNA) where: Base-Base interactions energy: -142.099 where: short stacking energy: -100.900 Base-Backbone interact. energy: 0.089 local terms energy: -253.705025 where: bonds (distance) C4'-P energy: -81.349 bonds (distance) P-C4' energy: -79.134 flat angles C4'-P-C4' energy: -76.671 flat angles P-C4'-P energy: -23.208 tors. eta vs tors. theta energy: 6.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1843.290555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.290555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.290555 (E_RNA) where: Base-Base interactions energy: -1293.556 where: short stacking energy: -517.669 Base-Backbone interact. energy: -0.891 local terms energy: -548.843997 where: bonds (distance) C4'-P energy: -109.934 bonds (distance) P-C4' energy: -101.718 flat angles C4'-P-C4' energy: -102.164 flat angles P-C4'-P energy: -80.385 tors. eta vs tors. theta energy: -154.642 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: 8 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1767.848539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.848539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.848539 (E_RNA) where: Base-Base interactions energy: -1243.234 where: short stacking energy: -499.212 Base-Backbone interact. energy: -1.755 local terms energy: -522.859688 where: bonds (distance) C4'-P energy: -100.687 bonds (distance) P-C4' energy: -92.077 flat angles C4'-P-C4' energy: -108.826 flat angles P-C4'-P energy: -74.623 tors. eta vs tors. theta energy: -146.647 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: 3, replica: 2 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1620.526594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.526594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.526594 (E_RNA) where: Base-Base interactions energy: -1133.291 where: short stacking energy: -447.972 Base-Backbone interact. energy: 1.514 local terms energy: -488.750123 where: bonds (distance) C4'-P energy: -93.790 bonds (distance) P-C4' energy: -94.783 flat angles C4'-P-C4' energy: -91.674 flat angles P-C4'-P energy: -78.640 tors. eta vs tors. theta energy: -129.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1558.205284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.205284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.205284 (E_RNA) where: Base-Base interactions energy: -1075.021 where: short stacking energy: -425.346 Base-Backbone interact. energy: -2.407 local terms energy: -480.777185 where: bonds (distance) C4'-P energy: -83.802 bonds (distance) P-C4' energy: -92.381 flat angles C4'-P-C4' energy: -106.834 flat angles P-C4'-P energy: -71.559 tors. eta vs tors. theta energy: -126.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1561.550648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.550648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.550648 (E_RNA) where: Base-Base interactions energy: -1099.430 where: short stacking energy: -445.479 Base-Backbone interact. energy: -0.369 local terms energy: -461.751689 where: bonds (distance) C4'-P energy: -71.436 bonds (distance) P-C4' energy: -89.327 flat angles C4'-P-C4' energy: -97.018 flat angles P-C4'-P energy: -67.736 tors. eta vs tors. theta energy: -136.235 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: 6 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1340.411328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.411328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.411328 (E_RNA) where: Base-Base interactions energy: -922.277 where: short stacking energy: -396.630 Base-Backbone interact. energy: 1.650 local terms energy: -419.783907 where: bonds (distance) C4'-P energy: -70.638 bonds (distance) P-C4' energy: -88.736 flat angles C4'-P-C4' energy: -93.541 flat angles P-C4'-P energy: -54.983 tors. eta vs tors. theta energy: -111.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1199.424350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.424350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.424350 (E_RNA) where: Base-Base interactions energy: -816.197 where: short stacking energy: -336.181 Base-Backbone interact. energy: 0.458 local terms energy: -383.685917 where: bonds (distance) C4'-P energy: -83.179 bonds (distance) P-C4' energy: -80.369 flat angles C4'-P-C4' energy: -91.706 flat angles P-C4'-P energy: -55.626 tors. eta vs tors. theta energy: -72.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1266.731071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.731071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.731071 (E_RNA) where: Base-Base interactions energy: -862.951 where: short stacking energy: -353.312 Base-Backbone interact. energy: -1.205 local terms energy: -402.575227 where: bonds (distance) C4'-P energy: -86.743 bonds (distance) P-C4' energy: -73.144 flat angles C4'-P-C4' energy: -83.042 flat angles P-C4'-P energy: -62.791 tors. eta vs tors. theta energy: -96.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -997.229407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.229407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.229407 (E_RNA) where: Base-Base interactions energy: -647.573 where: short stacking energy: -273.791 Base-Backbone interact. energy: 2.042 local terms energy: -351.698880 where: bonds (distance) C4'-P energy: -82.211 bonds (distance) P-C4' energy: -86.493 flat angles C4'-P-C4' energy: -73.613 flat angles P-C4'-P energy: -46.743 tors. eta vs tors. theta energy: -62.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -446.585920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.585920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.585920 (E_RNA) where: Base-Base interactions energy: -200.912 where: short stacking energy: -141.781 Base-Backbone interact. energy: 10.354 local terms energy: -256.027469 where: bonds (distance) C4'-P energy: -79.525 bonds (distance) P-C4' energy: -79.592 flat angles C4'-P-C4' energy: -68.019 flat angles P-C4'-P energy: -23.974 tors. eta vs tors. theta energy: -4.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1832.334617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.334617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.334617 (E_RNA) where: Base-Base interactions energy: -1292.931 where: short stacking energy: -524.598 Base-Backbone interact. energy: 0.764 local terms energy: -540.167849 where: bonds (distance) C4'-P energy: -77.031 bonds (distance) P-C4' energy: -100.812 flat angles C4'-P-C4' energy: -117.180 flat angles P-C4'-P energy: -82.632 tors. eta vs tors. theta energy: -162.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1742.361557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.361557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.361557 (E_RNA) where: Base-Base interactions energy: -1221.803 where: short stacking energy: -496.269 Base-Backbone interact. energy: -0.674 local terms energy: -519.883933 where: bonds (distance) C4'-P energy: -99.968 bonds (distance) P-C4' energy: -98.249 flat angles C4'-P-C4' energy: -108.595 flat angles P-C4'-P energy: -67.755 tors. eta vs tors. theta energy: -145.318 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: 2 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1644.312474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.312474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.312474 (E_RNA) where: Base-Base interactions energy: -1138.532 where: short stacking energy: -468.641 Base-Backbone interact. energy: -2.211 local terms energy: -503.569246 where: bonds (distance) C4'-P energy: -92.495 bonds (distance) P-C4' energy: -88.593 flat angles C4'-P-C4' energy: -102.034 flat angles P-C4'-P energy: -80.446 tors. eta vs tors. theta energy: -140.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1585.951569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.951569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.951569 (E_RNA) where: Base-Base interactions energy: -1111.875 where: short stacking energy: -437.816 Base-Backbone interact. energy: -1.148 local terms energy: -472.929045 where: bonds (distance) C4'-P energy: -88.171 bonds (distance) P-C4' energy: -91.352 flat angles C4'-P-C4' energy: -95.496 flat angles P-C4'-P energy: -71.920 tors. eta vs tors. theta energy: -125.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1517.182338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.182338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.182338 (E_RNA) where: Base-Base interactions energy: -1079.525 where: short stacking energy: -438.649 Base-Backbone interact. energy: -0.646 local terms energy: -437.010761 where: bonds (distance) C4'-P energy: -69.203 bonds (distance) P-C4' energy: -82.918 flat angles C4'-P-C4' energy: -99.863 flat angles P-C4'-P energy: -59.167 tors. eta vs tors. theta energy: -125.860 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: 6 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1353.620721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.620721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.620721 (E_RNA) where: Base-Base interactions energy: -899.897 where: short stacking energy: -382.086 Base-Backbone interact. energy: 1.380 local terms energy: -455.104183 where: bonds (distance) C4'-P energy: -89.468 bonds (distance) P-C4' energy: -94.647 flat angles C4'-P-C4' energy: -104.292 flat angles P-C4'-P energy: -60.314 tors. eta vs tors. theta energy: -106.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1240.629856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.629856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.629856 (E_RNA) where: Base-Base interactions energy: -856.559 where: short stacking energy: -351.976 Base-Backbone interact. energy: -0.346 local terms energy: -383.725221 where: bonds (distance) C4'-P energy: -80.733 bonds (distance) P-C4' energy: -67.294 flat angles C4'-P-C4' energy: -79.239 flat angles P-C4'-P energy: -57.650 tors. eta vs tors. theta energy: -98.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1236.526728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.526728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.526728 (E_RNA) where: Base-Base interactions energy: -845.267 where: short stacking energy: -335.230 Base-Backbone interact. energy: -1.170 local terms energy: -390.089266 where: bonds (distance) C4'-P energy: -84.995 bonds (distance) P-C4' energy: -66.100 flat angles C4'-P-C4' energy: -94.756 flat angles P-C4'-P energy: -61.799 tors. eta vs tors. theta energy: -82.439 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: 7 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -1067.255200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.255200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.255200 (E_RNA) where: Base-Base interactions energy: -703.124 where: short stacking energy: -304.520 Base-Backbone interact. energy: -0.671 local terms energy: -363.460182 where: bonds (distance) C4'-P energy: -66.242 bonds (distance) P-C4' energy: -86.062 flat angles C4'-P-C4' energy: -88.742 flat angles P-C4'-P energy: -48.477 tors. eta vs tors. theta energy: -73.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -399.723365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.723365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.723365 (E_RNA) where: Base-Base interactions energy: -168.206 where: short stacking energy: -132.952 Base-Backbone interact. energy: 4.202 local terms energy: -235.720137 where: bonds (distance) C4'-P energy: -79.270 bonds (distance) P-C4' energy: -73.519 flat angles C4'-P-C4' energy: -60.111 flat angles P-C4'-P energy: -28.642 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: 1, replica: 3 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1834.737758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.737758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.737758 (E_RNA) where: Base-Base interactions energy: -1285.954 where: short stacking energy: -519.990 Base-Backbone interact. energy: 0.667 local terms energy: -549.450378 where: bonds (distance) C4'-P energy: -98.621 bonds (distance) P-C4' energy: -92.882 flat angles C4'-P-C4' energy: -111.708 flat angles P-C4'-P energy: -82.181 tors. eta vs tors. theta energy: -164.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1743.801257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.801257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.801257 (E_RNA) where: Base-Base interactions energy: -1216.353 where: short stacking energy: -514.143 Base-Backbone interact. energy: 2.551 local terms energy: -529.999783 where: bonds (distance) C4'-P energy: -94.198 bonds (distance) P-C4' energy: -97.519 flat angles C4'-P-C4' energy: -112.386 flat angles P-C4'-P energy: -74.478 tors. eta vs tors. theta energy: -151.418 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: 2 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1682.957765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.957765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.957765 (E_RNA) where: Base-Base interactions energy: -1166.960 where: short stacking energy: -472.727 Base-Backbone interact. energy: -1.109 local terms energy: -514.888359 where: bonds (distance) C4'-P energy: -96.088 bonds (distance) P-C4' energy: -95.526 flat angles C4'-P-C4' energy: -99.815 flat angles P-C4'-P energy: -78.943 tors. eta vs tors. theta energy: -144.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1605.159629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.159629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.159629 (E_RNA) where: Base-Base interactions energy: -1131.992 where: short stacking energy: -463.233 Base-Backbone interact. energy: 0.285 local terms energy: -473.451901 where: bonds (distance) C4'-P energy: -81.668 bonds (distance) P-C4' energy: -85.257 flat angles C4'-P-C4' energy: -106.019 flat angles P-C4'-P energy: -66.679 tors. eta vs tors. theta energy: -133.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1484.423117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.423117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.423117 (E_RNA) where: Base-Base interactions energy: -1036.801 where: short stacking energy: -410.352 Base-Backbone interact. energy: 0.840 local terms energy: -448.461707 where: bonds (distance) C4'-P energy: -88.632 bonds (distance) P-C4' energy: -89.350 flat angles C4'-P-C4' energy: -99.295 flat angles P-C4'-P energy: -59.387 tors. eta vs tors. theta energy: -111.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1360.478961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.478961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.478961 (E_RNA) where: Base-Base interactions energy: -921.853 where: short stacking energy: -399.910 Base-Backbone interact. energy: -1.098 local terms energy: -437.528266 where: bonds (distance) C4'-P energy: -81.467 bonds (distance) P-C4' energy: -81.335 flat angles C4'-P-C4' energy: -101.890 flat angles P-C4'-P energy: -57.987 tors. eta vs tors. theta energy: -114.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1248.076887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.076887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.076887 (E_RNA) where: Base-Base interactions energy: -841.781 where: short stacking energy: -332.604 Base-Backbone interact. energy: -1.529 local terms energy: -404.767516 where: bonds (distance) C4'-P energy: -81.408 bonds (distance) P-C4' energy: -88.767 flat angles C4'-P-C4' energy: -83.751 flat angles P-C4'-P energy: -59.836 tors. eta vs tors. theta energy: -91.005 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: 9 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1201.096338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.096338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.096338 (E_RNA) where: Base-Base interactions energy: -800.727 where: short stacking energy: -328.678 Base-Backbone interact. energy: -0.250 local terms energy: -400.118693 where: bonds (distance) C4'-P energy: -74.048 bonds (distance) P-C4' energy: -92.516 flat angles C4'-P-C4' energy: -80.294 flat angles P-C4'-P energy: -54.169 tors. eta vs tors. theta energy: -99.092 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: 7 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -1067.626302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.626302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.626302 (E_RNA) where: Base-Base interactions energy: -699.347 where: short stacking energy: -286.733 Base-Backbone interact. energy: 7.850 local terms energy: -376.129192 where: bonds (distance) C4'-P energy: -79.705 bonds (distance) P-C4' energy: -81.871 flat angles C4'-P-C4' energy: -91.394 flat angles P-C4'-P energy: -54.970 tors. eta vs tors. theta energy: -68.189 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: 10 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -358.724291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.724291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.724291 (E_RNA) where: Base-Base interactions energy: -90.812 where: short stacking energy: -69.920 Base-Backbone interact. energy: -1.912 local terms energy: -266.000175 where: bonds (distance) C4'-P energy: -87.103 bonds (distance) P-C4' energy: -87.962 flat angles C4'-P-C4' energy: -67.326 flat angles P-C4'-P energy: -32.809 tors. eta vs tors. theta energy: 9.200 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: 3 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1831.183136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.183136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.183136 (E_RNA) where: Base-Base interactions energy: -1307.167 where: short stacking energy: -516.445 Base-Backbone interact. energy: -0.818 local terms energy: -523.198316 where: bonds (distance) C4'-P energy: -83.449 bonds (distance) P-C4' energy: -94.785 flat angles C4'-P-C4' energy: -114.947 flat angles P-C4'-P energy: -72.151 tors. eta vs tors. theta energy: -157.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1710.006768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.006768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.006768 (E_RNA) where: Base-Base interactions energy: -1202.701 where: short stacking energy: -482.571 Base-Backbone interact. energy: -2.852 local terms energy: -504.453568 where: bonds (distance) C4'-P energy: -96.211 bonds (distance) P-C4' energy: -82.150 flat angles C4'-P-C4' energy: -106.353 flat angles P-C4'-P energy: -71.741 tors. eta vs tors. theta energy: -147.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1699.707724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.707724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.707724 (E_RNA) where: Base-Base interactions energy: -1191.263 where: short stacking energy: -485.194 Base-Backbone interact. energy: -1.970 local terms energy: -506.474792 where: bonds (distance) C4'-P energy: -96.632 bonds (distance) P-C4' energy: -94.805 flat angles C4'-P-C4' energy: -101.813 flat angles P-C4'-P energy: -59.847 tors. eta vs tors. theta energy: -153.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1568.855800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.855800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.855800 (E_RNA) where: Base-Base interactions energy: -1087.721 where: short stacking energy: -432.199 Base-Backbone interact. energy: -3.278 local terms energy: -477.856835 where: bonds (distance) C4'-P energy: -81.282 bonds (distance) P-C4' energy: -93.331 flat angles C4'-P-C4' energy: -109.645 flat angles P-C4'-P energy: -70.604 tors. eta vs tors. theta energy: -122.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1488.450390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.450390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.450390 (E_RNA) where: Base-Base interactions energy: -1033.661 where: short stacking energy: -412.157 Base-Backbone interact. energy: 1.721 local terms energy: -456.510294 where: bonds (distance) C4'-P energy: -77.801 bonds (distance) P-C4' energy: -90.591 flat angles C4'-P-C4' energy: -90.615 flat angles P-C4'-P energy: -69.813 tors. eta vs tors. theta energy: -127.690 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: 6 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1332.171757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.171757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.171757 (E_RNA) where: Base-Base interactions energy: -906.227 where: short stacking energy: -375.908 Base-Backbone interact. energy: -0.253 local terms energy: -425.692221 where: bonds (distance) C4'-P energy: -79.080 bonds (distance) P-C4' energy: -81.111 flat angles C4'-P-C4' energy: -96.257 flat angles P-C4'-P energy: -53.781 tors. eta vs tors. theta energy: -115.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1279.366543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.366543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.366543 (E_RNA) where: Base-Base interactions energy: -861.047 where: short stacking energy: -360.312 Base-Backbone interact. energy: -1.164 local terms energy: -417.155653 where: bonds (distance) C4'-P energy: -75.368 bonds (distance) P-C4' energy: -95.939 flat angles C4'-P-C4' energy: -85.916 flat angles P-C4'-P energy: -56.344 tors. eta vs tors. theta energy: -103.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1182.362641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.362641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.362641 (E_RNA) where: Base-Base interactions energy: -764.484 where: short stacking energy: -321.135 Base-Backbone interact. energy: -2.199 local terms energy: -415.679694 where: bonds (distance) C4'-P energy: -85.868 bonds (distance) P-C4' energy: -86.900 flat angles C4'-P-C4' energy: -86.469 flat angles P-C4'-P energy: -71.629 tors. eta vs tors. theta energy: -84.815 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: 7 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -1090.318427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.318427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.318427 (E_RNA) where: Base-Base interactions energy: -732.887 where: short stacking energy: -294.511 Base-Backbone interact. energy: 4.442 local terms energy: -361.873459 where: bonds (distance) C4'-P energy: -73.246 bonds (distance) P-C4' energy: -79.746 flat angles C4'-P-C4' energy: -73.602 flat angles P-C4'-P energy: -56.914 tors. eta vs tors. theta energy: -78.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -394.057469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.057469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.057469 (E_RNA) where: Base-Base interactions energy: -142.258 where: short stacking energy: -102.962 Base-Backbone interact. energy: 3.047 local terms energy: -254.847026 where: bonds (distance) C4'-P energy: -75.245 bonds (distance) P-C4' energy: -76.303 flat angles C4'-P-C4' energy: -73.336 flat angles P-C4'-P energy: -53.582 tors. eta vs tors. theta energy: 23.619 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: 3 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1838.220785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.220785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.220785 (E_RNA) where: Base-Base interactions energy: -1299.397 where: short stacking energy: -527.591 Base-Backbone interact. energy: 1.390 local terms energy: -540.213821 where: bonds (distance) C4'-P energy: -95.915 bonds (distance) P-C4' energy: -93.768 flat angles C4'-P-C4' energy: -114.664 flat angles P-C4'-P energy: -75.343 tors. eta vs tors. theta energy: -160.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1728.805596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.805596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.805596 (E_RNA) where: Base-Base interactions energy: -1206.094 where: short stacking energy: -472.898 Base-Backbone interact. energy: -2.430 local terms energy: -520.281757 where: bonds (distance) C4'-P energy: -93.327 bonds (distance) P-C4' energy: -104.077 flat angles C4'-P-C4' energy: -117.304 flat angles P-C4'-P energy: -64.656 tors. eta vs tors. theta energy: -140.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1710.215569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.215569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.215569 (E_RNA) where: Base-Base interactions energy: -1198.194 where: short stacking energy: -495.273 Base-Backbone interact. energy: -2.711 local terms energy: -509.310632 where: bonds (distance) C4'-P energy: -88.115 bonds (distance) P-C4' energy: -97.379 flat angles C4'-P-C4' energy: -111.166 flat angles P-C4'-P energy: -66.171 tors. eta vs tors. theta energy: -146.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1595.619184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.619184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.619184 (E_RNA) where: Base-Base interactions energy: -1114.504 where: short stacking energy: -448.620 Base-Backbone interact. energy: -0.087 local terms energy: -481.027586 where: bonds (distance) C4'-P energy: -70.477 bonds (distance) P-C4' energy: -83.109 flat angles C4'-P-C4' energy: -106.912 flat angles P-C4'-P energy: -86.647 tors. eta vs tors. theta energy: -133.883 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: 4 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1526.684991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.684991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.684991 (E_RNA) where: Base-Base interactions energy: -1068.610 where: short stacking energy: -449.442 Base-Backbone interact. energy: 1.873 local terms energy: -459.948433 where: bonds (distance) C4'-P energy: -87.149 bonds (distance) P-C4' energy: -87.213 flat angles C4'-P-C4' energy: -94.769 flat angles P-C4'-P energy: -61.998 tors. eta vs tors. theta energy: -128.819 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: 6, replica: 6 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1369.522424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.522424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.522424 (E_RNA) where: Base-Base interactions energy: -949.644 where: short stacking energy: -407.303 Base-Backbone interact. energy: -1.603 local terms energy: -418.274960 where: bonds (distance) C4'-P energy: -77.129 bonds (distance) P-C4' energy: -86.644 flat angles C4'-P-C4' energy: -93.617 flat angles P-C4'-P energy: -64.529 tors. eta vs tors. theta energy: -96.355 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: 5 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1280.736262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.736262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.736262 (E_RNA) where: Base-Base interactions energy: -855.069 where: short stacking energy: -346.341 Base-Backbone interact. energy: -1.254 local terms energy: -424.413778 where: bonds (distance) C4'-P energy: -85.745 bonds (distance) P-C4' energy: -93.337 flat angles C4'-P-C4' energy: -92.418 flat angles P-C4'-P energy: -61.237 tors. eta vs tors. theta energy: -91.677 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: 8, replica: 9 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1170.531858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.531858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.531858 (E_RNA) where: Base-Base interactions energy: -770.917 where: short stacking energy: -313.380 Base-Backbone interact. energy: -1.356 local terms energy: -398.258797 where: bonds (distance) C4'-P energy: -85.479 bonds (distance) P-C4' energy: -87.735 flat angles C4'-P-C4' energy: -79.435 flat angles P-C4'-P energy: -62.421 tors. eta vs tors. theta energy: -83.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -1151.344941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.344941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.344941 (E_RNA) where: Base-Base interactions energy: -789.399 where: short stacking energy: -318.904 Base-Backbone interact. energy: -1.123 local terms energy: -360.823587 where: bonds (distance) C4'-P energy: -67.435 bonds (distance) P-C4' energy: -67.668 flat angles C4'-P-C4' energy: -82.837 flat angles P-C4'-P energy: -59.060 tors. eta vs tors. theta energy: -83.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -370.101213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.101213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.101213 (E_RNA) where: Base-Base interactions energy: -130.656 where: short stacking energy: -88.090 Base-Backbone interact. energy: 1.381 local terms energy: -240.826375 where: bonds (distance) C4'-P energy: -93.149 bonds (distance) P-C4' energy: -93.931 flat angles C4'-P-C4' energy: -63.870 flat angles P-C4'-P energy: -27.599 tors. eta vs tors. theta energy: 37.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1823.470472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.470472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.470472 (E_RNA) where: Base-Base interactions energy: -1280.921 where: short stacking energy: -518.233 Base-Backbone interact. energy: -1.597 local terms energy: -540.951948 where: bonds (distance) C4'-P energy: -107.661 bonds (distance) P-C4' energy: -101.720 flat angles C4'-P-C4' energy: -103.590 flat angles P-C4'-P energy: -71.839 tors. eta vs tors. theta energy: -156.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1752.907917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.907917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.907917 (E_RNA) where: Base-Base interactions energy: -1221.034 where: short stacking energy: -490.658 Base-Backbone interact. energy: -1.683 local terms energy: -530.191032 where: bonds (distance) C4'-P energy: -94.495 bonds (distance) P-C4' energy: -95.010 flat angles C4'-P-C4' energy: -121.624 flat angles P-C4'-P energy: -74.891 tors. eta vs tors. theta energy: -144.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1729.660158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.660158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.660158 (E_RNA) where: Base-Base interactions energy: -1204.297 where: short stacking energy: -481.480 Base-Backbone interact. energy: -2.974 local terms energy: -522.389669 where: bonds (distance) C4'-P energy: -85.103 bonds (distance) P-C4' energy: -94.959 flat angles C4'-P-C4' energy: -116.935 flat angles P-C4'-P energy: -75.169 tors. eta vs tors. theta energy: -150.224 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: 1 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1622.825876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.825876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.825876 (E_RNA) where: Base-Base interactions energy: -1125.823 where: short stacking energy: -442.968 Base-Backbone interact. energy: -0.818 local terms energy: -496.185099 where: bonds (distance) C4'-P energy: -93.266 bonds (distance) P-C4' energy: -86.308 flat angles C4'-P-C4' energy: -111.921 flat angles P-C4'-P energy: -75.168 tors. eta vs tors. theta energy: -129.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1497.169348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.169348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.169348 (E_RNA) where: Base-Base interactions energy: -1036.069 where: short stacking energy: -420.734 Base-Backbone interact. energy: -1.708 local terms energy: -459.392279 where: bonds (distance) C4'-P energy: -86.977 bonds (distance) P-C4' energy: -87.807 flat angles C4'-P-C4' energy: -101.401 flat angles P-C4'-P energy: -64.854 tors. eta vs tors. theta energy: -118.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1330.710069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.710069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.710069 (E_RNA) where: Base-Base interactions energy: -890.818 where: short stacking energy: -388.453 Base-Backbone interact. energy: -1.560 local terms energy: -438.331903 where: bonds (distance) C4'-P energy: -74.759 bonds (distance) P-C4' energy: -88.968 flat angles C4'-P-C4' energy: -99.483 flat angles P-C4'-P energy: -67.800 tors. eta vs tors. theta energy: -107.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1277.058934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.058934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.058934 (E_RNA) where: Base-Base interactions energy: -847.182 where: short stacking energy: -371.599 Base-Backbone interact. energy: 3.703 local terms energy: -433.580152 where: bonds (distance) C4'-P energy: -96.977 bonds (distance) P-C4' energy: -92.509 flat angles C4'-P-C4' energy: -89.222 flat angles P-C4'-P energy: -49.460 tors. eta vs tors. theta energy: -105.412 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: 8, replica: 9 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1150.022583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.022583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.022583 (E_RNA) where: Base-Base interactions energy: -775.800 where: short stacking energy: -320.950 Base-Backbone interact. energy: 1.429 local terms energy: -375.652115 where: bonds (distance) C4'-P energy: -76.572 bonds (distance) P-C4' energy: -90.165 flat angles C4'-P-C4' energy: -78.467 flat angles P-C4'-P energy: -53.340 tors. eta vs tors. theta energy: -77.108 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: 7 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -1113.159933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.159933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.159933 (E_RNA) where: Base-Base interactions energy: -742.146 where: short stacking energy: -325.745 Base-Backbone interact. energy: -2.094 local terms energy: -368.920521 where: bonds (distance) C4'-P energy: -75.731 bonds (distance) P-C4' energy: -67.988 flat angles C4'-P-C4' energy: -86.738 flat angles P-C4'-P energy: -58.985 tors. eta vs tors. theta energy: -79.479 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: 10, replica: 10 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -383.054034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.054034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.054034 (E_RNA) where: Base-Base interactions energy: -105.250 where: short stacking energy: -100.050 Base-Backbone interact. energy: 1.397 local terms energy: -279.200303 where: bonds (distance) C4'-P energy: -89.209 bonds (distance) P-C4' energy: -75.183 flat angles C4'-P-C4' energy: -71.786 flat angles P-C4'-P energy: -53.230 tors. eta vs tors. theta energy: 10.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1835.282636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.282636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.282636 (E_RNA) where: Base-Base interactions energy: -1292.419 where: short stacking energy: -518.136 Base-Backbone interact. energy: 2.151 local terms energy: -545.014571 where: bonds (distance) C4'-P energy: -88.491 bonds (distance) P-C4' energy: -98.361 flat angles C4'-P-C4' energy: -118.127 flat angles P-C4'-P energy: -81.118 tors. eta vs tors. theta energy: -158.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1754.419426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.419426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.419426 (E_RNA) where: Base-Base interactions energy: -1234.610 where: short stacking energy: -492.745 Base-Backbone interact. energy: -3.980 local terms energy: -515.830041 where: bonds (distance) C4'-P energy: -89.849 bonds (distance) P-C4' energy: -94.455 flat angles C4'-P-C4' energy: -109.731 flat angles P-C4'-P energy: -74.069 tors. eta vs tors. theta energy: -147.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1695.931281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.931281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.931281 (E_RNA) where: Base-Base interactions energy: -1184.071 where: short stacking energy: -478.054 Base-Backbone interact. energy: 2.978 local terms energy: -514.838334 where: bonds (distance) C4'-P energy: -91.244 bonds (distance) P-C4' energy: -97.960 flat angles C4'-P-C4' energy: -109.830 flat angles P-C4'-P energy: -75.434 tors. eta vs tors. theta energy: -140.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1587.655053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.655053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.655053 (E_RNA) where: Base-Base interactions energy: -1107.121 where: short stacking energy: -447.433 Base-Backbone interact. energy: 0.337 local terms energy: -480.871094 where: bonds (distance) C4'-P energy: -94.065 bonds (distance) P-C4' energy: -87.672 flat angles C4'-P-C4' energy: -100.391 flat angles P-C4'-P energy: -60.696 tors. eta vs tors. theta energy: -138.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1446.927088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.927088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.927088 (E_RNA) where: Base-Base interactions energy: -1008.575 where: short stacking energy: -407.968 Base-Backbone interact. energy: 1.635 local terms energy: -439.986445 where: bonds (distance) C4'-P energy: -79.234 bonds (distance) P-C4' energy: -81.471 flat angles C4'-P-C4' energy: -91.265 flat angles P-C4'-P energy: -73.210 tors. eta vs tors. theta energy: -114.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1314.242804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.242804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.242804 (E_RNA) where: Base-Base interactions energy: -875.243 where: short stacking energy: -389.074 Base-Backbone interact. energy: -0.816 local terms energy: -438.183786 where: bonds (distance) C4'-P energy: -73.255 bonds (distance) P-C4' energy: -89.213 flat angles C4'-P-C4' energy: -100.016 flat angles P-C4'-P energy: -67.885 tors. eta vs tors. theta energy: -107.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1285.157484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.157484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.157484 (E_RNA) where: Base-Base interactions energy: -882.431 where: short stacking energy: -351.929 Base-Backbone interact. energy: -3.318 local terms energy: -399.407696 where: bonds (distance) C4'-P energy: -77.045 bonds (distance) P-C4' energy: -85.117 flat angles C4'-P-C4' energy: -89.718 flat angles P-C4'-P energy: -56.035 tors. eta vs tors. theta energy: -91.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1128.889286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.889286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.889286 (E_RNA) where: Base-Base interactions energy: -737.840 where: short stacking energy: -307.829 Base-Backbone interact. energy: 0.581 local terms energy: -391.630506 where: bonds (distance) C4'-P energy: -69.145 bonds (distance) P-C4' energy: -78.460 flat angles C4'-P-C4' energy: -101.792 flat angles P-C4'-P energy: -59.311 tors. eta vs tors. theta energy: -82.922 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: 7 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -1183.181919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.181919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.181919 (E_RNA) where: Base-Base interactions energy: -784.192 where: short stacking energy: -352.545 Base-Backbone interact. energy: -1.574 local terms energy: -397.415896 where: bonds (distance) C4'-P energy: -68.478 bonds (distance) P-C4' energy: -80.894 flat angles C4'-P-C4' energy: -82.484 flat angles P-C4'-P energy: -64.815 tors. eta vs tors. theta energy: -100.745 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: 10 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -416.614178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.614178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.614178 (E_RNA) where: Base-Base interactions energy: -155.667 where: short stacking energy: -103.133 Base-Backbone interact. energy: -1.166 local terms energy: -259.780945 where: bonds (distance) C4'-P energy: -85.534 bonds (distance) P-C4' energy: -80.120 flat angles C4'-P-C4' energy: -72.311 flat angles P-C4'-P energy: -33.288 tors. eta vs tors. theta energy: 11.472 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: 3 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1835.764471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.764471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.764471 (E_RNA) where: Base-Base interactions energy: -1287.108 where: short stacking energy: -513.111 Base-Backbone interact. energy: -0.725 local terms energy: -547.931506 where: bonds (distance) C4'-P energy: -101.409 bonds (distance) P-C4' energy: -95.155 flat angles C4'-P-C4' energy: -114.225 flat angles P-C4'-P energy: -75.156 tors. eta vs tors. theta energy: -161.987 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: 2 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1746.731249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.731249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.731249 (E_RNA) where: Base-Base interactions energy: -1227.894 where: short stacking energy: -496.363 Base-Backbone interact. energy: 1.800 local terms energy: -520.637199 where: bonds (distance) C4'-P energy: -92.570 bonds (distance) P-C4' energy: -93.455 flat angles C4'-P-C4' energy: -111.261 flat angles P-C4'-P energy: -71.098 tors. eta vs tors. theta energy: -152.252 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: 8 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1719.850580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.850580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.850580 (E_RNA) where: Base-Base interactions energy: -1206.414 where: short stacking energy: -485.956 Base-Backbone interact. energy: -0.885 local terms energy: -512.551666 where: bonds (distance) C4'-P energy: -76.851 bonds (distance) P-C4' energy: -95.993 flat angles C4'-P-C4' energy: -113.581 flat angles P-C4'-P energy: -71.840 tors. eta vs tors. theta energy: -154.286 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: 4, replica: 1 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1579.828217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.828217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.828217 (E_RNA) where: Base-Base interactions energy: -1091.835 where: short stacking energy: -459.419 Base-Backbone interact. energy: 0.023 local terms energy: -488.015995 where: bonds (distance) C4'-P energy: -90.757 bonds (distance) P-C4' energy: -93.501 flat angles C4'-P-C4' energy: -104.512 flat angles P-C4'-P energy: -62.931 tors. eta vs tors. theta energy: -136.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1438.783158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.783158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.783158 (E_RNA) where: Base-Base interactions energy: -990.614 where: short stacking energy: -399.841 Base-Backbone interact. energy: -0.170 local terms energy: -447.998902 where: bonds (distance) C4'-P energy: -77.515 bonds (distance) P-C4' energy: -88.933 flat angles C4'-P-C4' energy: -100.919 flat angles P-C4'-P energy: -62.026 tors. eta vs tors. theta energy: -118.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1359.419537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.419537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.419537 (E_RNA) where: Base-Base interactions energy: -913.949 where: short stacking energy: -385.442 Base-Backbone interact. energy: -1.305 local terms energy: -444.164945 where: bonds (distance) C4'-P energy: -82.486 bonds (distance) P-C4' energy: -93.422 flat angles C4'-P-C4' energy: -98.173 flat angles P-C4'-P energy: -65.792 tors. eta vs tors. theta energy: -104.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1293.606288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.606288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.606288 (E_RNA) where: Base-Base interactions energy: -884.866 where: short stacking energy: -361.666 Base-Backbone interact. energy: -3.427 local terms energy: -405.312967 where: bonds (distance) C4'-P energy: -88.793 bonds (distance) P-C4' energy: -67.828 flat angles C4'-P-C4' energy: -91.441 flat angles P-C4'-P energy: -55.861 tors. eta vs tors. theta energy: -101.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1232.568805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.568805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.568805 (E_RNA) where: Base-Base interactions energy: -829.886 where: short stacking energy: -358.835 Base-Backbone interact. energy: 0.922 local terms energy: -403.604416 where: bonds (distance) C4'-P energy: -86.543 bonds (distance) P-C4' energy: -80.625 flat angles C4'-P-C4' energy: -78.938 flat angles P-C4'-P energy: -61.844 tors. eta vs tors. theta energy: -95.654 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: 9 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -1084.505760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.505760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.505760 (E_RNA) where: Base-Base interactions energy: -728.869 where: short stacking energy: -282.472 Base-Backbone interact. energy: 1.995 local terms energy: -357.630994 where: bonds (distance) C4'-P energy: -67.402 bonds (distance) P-C4' energy: -97.080 flat angles C4'-P-C4' energy: -80.810 flat angles P-C4'-P energy: -52.048 tors. eta vs tors. theta energy: -60.291 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: 10 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -378.895050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.895050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.895050 (E_RNA) where: Base-Base interactions energy: -101.101 where: short stacking energy: -95.614 Base-Backbone interact. energy: 0.661 local terms energy: -278.455306 where: bonds (distance) C4'-P energy: -91.729 bonds (distance) P-C4' energy: -81.842 flat angles C4'-P-C4' energy: -86.973 flat angles P-C4'-P energy: -33.390 tors. eta vs tors. theta energy: 15.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1818.893331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.893331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.893331 (E_RNA) where: Base-Base interactions energy: -1275.510 where: short stacking energy: -501.212 Base-Backbone interact. energy: -0.952 local terms energy: -542.431761 where: bonds (distance) C4'-P energy: -107.725 bonds (distance) P-C4' energy: -98.681 flat angles C4'-P-C4' energy: -107.226 flat angles P-C4'-P energy: -70.205 tors. eta vs tors. theta energy: -158.595 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: 152 Temperature: 0.950000 Total energy: -1732.952602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.952602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.952602 (E_RNA) where: Base-Base interactions energy: -1224.604 where: short stacking energy: -479.471 Base-Backbone interact. energy: 0.231 local terms energy: -508.580261 where: bonds (distance) C4'-P energy: -90.029 bonds (distance) P-C4' energy: -87.802 flat angles C4'-P-C4' energy: -94.708 flat angles P-C4'-P energy: -79.134 tors. eta vs tors. theta energy: -156.907 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: 8 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1708.281370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.281370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.281370 (E_RNA) where: Base-Base interactions energy: -1212.571 where: short stacking energy: -489.695 Base-Backbone interact. energy: 0.927 local terms energy: -496.636657 where: bonds (distance) C4'-P energy: -94.805 bonds (distance) P-C4' energy: -94.696 flat angles C4'-P-C4' energy: -103.059 flat angles P-C4'-P energy: -62.580 tors. eta vs tors. theta energy: -141.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1600.611219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.611219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.611219 (E_RNA) where: Base-Base interactions energy: -1126.888 where: short stacking energy: -455.569 Base-Backbone interact. energy: 0.698 local terms energy: -474.420628 where: bonds (distance) C4'-P energy: -83.006 bonds (distance) P-C4' energy: -97.376 flat angles C4'-P-C4' energy: -96.105 flat angles P-C4'-P energy: -71.771 tors. eta vs tors. theta energy: -126.162 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: 4 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1408.109602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.109602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.109602 (E_RNA) where: Base-Base interactions energy: -969.476 where: short stacking energy: -403.071 Base-Backbone interact. energy: 1.732 local terms energy: -440.365438 where: bonds (distance) C4'-P energy: -82.310 bonds (distance) P-C4' energy: -83.155 flat angles C4'-P-C4' energy: -102.344 flat angles P-C4'-P energy: -61.271 tors. eta vs tors. theta energy: -111.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1350.515328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.515328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.515328 (E_RNA) where: Base-Base interactions energy: -907.964 where: short stacking energy: -388.849 Base-Backbone interact. energy: -1.247 local terms energy: -441.304931 where: bonds (distance) C4'-P energy: -79.782 bonds (distance) P-C4' energy: -93.862 flat angles C4'-P-C4' energy: -92.783 flat angles P-C4'-P energy: -64.789 tors. eta vs tors. theta energy: -110.090 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: 5 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1303.587135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.587135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.587135 (E_RNA) where: Base-Base interactions energy: -892.358 where: short stacking energy: -380.952 Base-Backbone interact. energy: -1.619 local terms energy: -409.610140 where: bonds (distance) C4'-P energy: -88.150 bonds (distance) P-C4' energy: -79.773 flat angles C4'-P-C4' energy: -85.032 flat angles P-C4'-P energy: -55.643 tors. eta vs tors. theta energy: -101.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1265.766369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.766369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.766369 (E_RNA) where: Base-Base interactions energy: -855.709 where: short stacking energy: -342.440 Base-Backbone interact. energy: -3.462 local terms energy: -406.595862 where: bonds (distance) C4'-P energy: -82.000 bonds (distance) P-C4' energy: -80.277 flat angles C4'-P-C4' energy: -90.776 flat angles P-C4'-P energy: -65.665 tors. eta vs tors. theta energy: -87.876 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: 9, replica: 9 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -1117.797347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.797347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.797347 (E_RNA) where: Base-Base interactions energy: -763.575 where: short stacking energy: -315.815 Base-Backbone interact. energy: 2.799 local terms energy: -357.021267 where: bonds (distance) C4'-P energy: -57.326 bonds (distance) P-C4' energy: -92.714 flat angles C4'-P-C4' energy: -93.223 flat angles P-C4'-P energy: -37.016 tors. eta vs tors. theta energy: -76.743 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: 10, replica: 10 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -372.463352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.463352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.463352 (E_RNA) where: Base-Base interactions energy: -119.670 where: short stacking energy: -97.823 Base-Backbone interact. energy: -0.368 local terms energy: -252.425069 where: bonds (distance) C4'-P energy: -77.000 bonds (distance) P-C4' energy: -81.846 flat angles C4'-P-C4' energy: -71.542 flat angles P-C4'-P energy: -28.873 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: 1, replica: 3 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1825.768679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.768679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.768679 (E_RNA) where: Base-Base interactions energy: -1281.722 where: short stacking energy: -525.840 Base-Backbone interact. energy: -0.631 local terms energy: -543.415952 where: bonds (distance) C4'-P energy: -95.286 bonds (distance) P-C4' energy: -88.734 flat angles C4'-P-C4' energy: -116.725 flat angles P-C4'-P energy: -82.401 tors. eta vs tors. theta energy: -160.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1739.582808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.582808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.582808 (E_RNA) where: Base-Base interactions energy: -1212.744 where: short stacking energy: -488.318 Base-Backbone interact. energy: -3.380 local terms energy: -523.458706 where: bonds (distance) C4'-P energy: -99.558 bonds (distance) P-C4' energy: -100.136 flat angles C4'-P-C4' energy: -109.121 flat angles P-C4'-P energy: -65.225 tors. eta vs tors. theta energy: -149.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1674.821140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.821140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.821140 (E_RNA) where: Base-Base interactions energy: -1171.623 where: short stacking energy: -471.692 Base-Backbone interact. energy: -1.569 local terms energy: -501.630000 where: bonds (distance) C4'-P energy: -88.157 bonds (distance) P-C4' energy: -93.557 flat angles C4'-P-C4' energy: -103.350 flat angles P-C4'-P energy: -72.585 tors. eta vs tors. theta energy: -143.982 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: 4, replica: 1 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1592.769249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.769249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.769249 (E_RNA) where: Base-Base interactions energy: -1102.150 where: short stacking energy: -461.761 Base-Backbone interact. energy: -0.628 local terms energy: -489.991668 where: bonds (distance) C4'-P energy: -91.450 bonds (distance) P-C4' energy: -93.112 flat angles C4'-P-C4' energy: -102.672 flat angles P-C4'-P energy: -70.721 tors. eta vs tors. theta energy: -132.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1497.356525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.356525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.356525 (E_RNA) where: Base-Base interactions energy: -1044.371 where: short stacking energy: -432.842 Base-Backbone interact. energy: 1.324 local terms energy: -454.309118 where: bonds (distance) C4'-P energy: -81.543 bonds (distance) P-C4' energy: -88.475 flat angles C4'-P-C4' energy: -109.408 flat angles P-C4'-P energy: -63.573 tors. eta vs tors. theta energy: -111.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1345.390842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.390842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.390842 (E_RNA) where: Base-Base interactions energy: -914.524 where: short stacking energy: -372.262 Base-Backbone interact. energy: -0.770 local terms energy: -430.096584 where: bonds (distance) C4'-P energy: -93.764 bonds (distance) P-C4' energy: -87.495 flat angles C4'-P-C4' energy: -80.010 flat angles P-C4'-P energy: -66.647 tors. eta vs tors. theta energy: -102.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1315.256376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.256376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.256376 (E_RNA) where: Base-Base interactions energy: -892.292 where: short stacking energy: -394.234 Base-Backbone interact. energy: -0.057 local terms energy: -422.907514 where: bonds (distance) C4'-P energy: -71.223 bonds (distance) P-C4' energy: -87.192 flat angles C4'-P-C4' energy: -95.232 flat angles P-C4'-P energy: -61.694 tors. eta vs tors. theta energy: -107.567 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: 7 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1253.389660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.389660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.389660 (E_RNA) where: Base-Base interactions energy: -849.246 where: short stacking energy: -332.285 Base-Backbone interact. energy: -1.404 local terms energy: -402.739671 where: bonds (distance) C4'-P energy: -87.494 bonds (distance) P-C4' energy: -79.813 flat angles C4'-P-C4' energy: -89.649 flat angles P-C4'-P energy: -57.472 tors. eta vs tors. theta energy: -88.312 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: 9 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -1122.071086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.071086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.071086 (E_RNA) where: Base-Base interactions energy: -741.872 where: short stacking energy: -321.021 Base-Backbone interact. energy: -1.420 local terms energy: -378.779368 where: bonds (distance) C4'-P energy: -72.273 bonds (distance) P-C4' energy: -76.819 flat angles C4'-P-C4' energy: -82.297 flat angles P-C4'-P energy: -61.059 tors. eta vs tors. theta energy: -86.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -378.531884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.531884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.531884 (E_RNA) where: Base-Base interactions energy: -136.405 where: short stacking energy: -94.388 Base-Backbone interact. energy: 3.031 local terms energy: -245.157472 where: bonds (distance) C4'-P energy: -63.480 bonds (distance) P-C4' energy: -68.730 flat angles C4'-P-C4' energy: -87.793 flat angles P-C4'-P energy: -35.979 tors. eta vs tors. theta energy: 10.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1853.003462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.003462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.003462 (E_RNA) where: Base-Base interactions energy: -1292.705 where: short stacking energy: -517.851 Base-Backbone interact. energy: -0.296 local terms energy: -560.002592 where: bonds (distance) C4'-P energy: -97.403 bonds (distance) P-C4' energy: -102.993 flat angles C4'-P-C4' energy: -113.586 flat angles P-C4'-P energy: -81.247 tors. eta vs tors. theta energy: -164.773 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: 154 Temperature: 0.950000 Total energy: -1722.075949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.075949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.075949 (E_RNA) where: Base-Base interactions energy: -1192.853 where: short stacking energy: -473.557 Base-Backbone interact. energy: -1.215 local terms energy: -528.007771 where: bonds (distance) C4'-P energy: -95.034 bonds (distance) P-C4' energy: -99.823 flat angles C4'-P-C4' energy: -109.295 flat angles P-C4'-P energy: -73.162 tors. eta vs tors. theta energy: -150.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1694.966452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.966452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.966452 (E_RNA) where: Base-Base interactions energy: -1208.951 where: short stacking energy: -477.321 Base-Backbone interact. energy: 0.044 local terms energy: -486.059563 where: bonds (distance) C4'-P energy: -83.211 bonds (distance) P-C4' energy: -92.886 flat angles C4'-P-C4' energy: -103.864 flat angles P-C4'-P energy: -65.893 tors. eta vs tors. theta energy: -140.206 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: 1 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1580.750619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.750619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.750619 (E_RNA) where: Base-Base interactions energy: -1100.823 where: short stacking energy: -449.588 Base-Backbone interact. energy: 0.114 local terms energy: -480.041501 where: bonds (distance) C4'-P energy: -94.842 bonds (distance) P-C4' energy: -95.591 flat angles C4'-P-C4' energy: -102.729 flat angles P-C4'-P energy: -64.620 tors. eta vs tors. theta energy: -122.260 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: 4 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1482.616208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.616208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.616208 (E_RNA) where: Base-Base interactions energy: -1025.613 where: short stacking energy: -427.408 Base-Backbone interact. energy: 0.183 local terms energy: -457.186282 where: bonds (distance) C4'-P energy: -76.099 bonds (distance) P-C4' energy: -82.640 flat angles C4'-P-C4' energy: -104.583 flat angles P-C4'-P energy: -58.931 tors. eta vs tors. theta energy: -134.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1345.507001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.507001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.507001 (E_RNA) where: Base-Base interactions energy: -915.467 where: short stacking energy: -387.450 Base-Backbone interact. energy: -0.545 local terms energy: -429.495130 where: bonds (distance) C4'-P energy: -75.879 bonds (distance) P-C4' energy: -83.683 flat angles C4'-P-C4' energy: -103.980 flat angles P-C4'-P energy: -55.019 tors. eta vs tors. theta energy: -110.934 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: 6 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1305.222301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.222301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.222301 (E_RNA) where: Base-Base interactions energy: -892.232 where: short stacking energy: -374.477 Base-Backbone interact. energy: 1.035 local terms energy: -414.025289 where: bonds (distance) C4'-P energy: -75.970 bonds (distance) P-C4' energy: -73.592 flat angles C4'-P-C4' energy: -104.028 flat angles P-C4'-P energy: -57.289 tors. eta vs tors. theta energy: -103.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1250.769829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.769829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.769829 (E_RNA) where: Base-Base interactions energy: -864.949 where: short stacking energy: -367.968 Base-Backbone interact. energy: -1.608 local terms energy: -384.213041 where: bonds (distance) C4'-P energy: -80.597 bonds (distance) P-C4' energy: -63.618 flat angles C4'-P-C4' energy: -86.610 flat angles P-C4'-P energy: -48.844 tors. eta vs tors. theta energy: -104.543 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: 9 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -1109.929836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.929836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.929836 (E_RNA) where: Base-Base interactions energy: -739.675 where: short stacking energy: -320.017 Base-Backbone interact. energy: 1.615 local terms energy: -371.869710 where: bonds (distance) C4'-P energy: -77.048 bonds (distance) P-C4' energy: -65.226 flat angles C4'-P-C4' energy: -89.816 flat angles P-C4'-P energy: -57.051 tors. eta vs tors. theta energy: -82.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -358.264196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.264196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.264196 (E_RNA) where: Base-Base interactions energy: -109.173 where: short stacking energy: -84.645 Base-Backbone interact. energy: 0.359 local terms energy: -249.450132 where: bonds (distance) C4'-P energy: -79.104 bonds (distance) P-C4' energy: -73.143 flat angles C4'-P-C4' energy: -72.297 flat angles P-C4'-P energy: -39.742 tors. eta vs tors. theta energy: 14.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1840.708762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.708762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.708762 (E_RNA) where: Base-Base interactions energy: -1289.323 where: short stacking energy: -532.364 Base-Backbone interact. energy: 0.655 local terms energy: -552.040609 where: bonds (distance) C4'-P energy: -84.269 bonds (distance) P-C4' energy: -112.390 flat angles C4'-P-C4' energy: -106.424 flat angles P-C4'-P energy: -81.264 tors. eta vs tors. theta energy: -167.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1705.837977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.837977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.837977 (E_RNA) where: Base-Base interactions energy: -1189.209 where: short stacking energy: -477.692 Base-Backbone interact. energy: -1.121 local terms energy: -515.508044 where: bonds (distance) C4'-P energy: -84.616 bonds (distance) P-C4' energy: -107.742 flat angles C4'-P-C4' energy: -109.385 flat angles P-C4'-P energy: -66.391 tors. eta vs tors. theta energy: -147.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1709.751407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.751407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.751407 (E_RNA) where: Base-Base interactions energy: -1187.226 where: short stacking energy: -478.366 Base-Backbone interact. energy: -0.872 local terms energy: -521.653673 where: bonds (distance) C4'-P energy: -97.654 bonds (distance) P-C4' energy: -93.413 flat angles C4'-P-C4' energy: -109.107 flat angles P-C4'-P energy: -79.386 tors. eta vs tors. theta energy: -142.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1516.641582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.641582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.641582 (E_RNA) where: Base-Base interactions energy: -1050.364 where: short stacking energy: -424.584 Base-Backbone interact. energy: 0.175 local terms energy: -466.452941 where: bonds (distance) C4'-P energy: -85.124 bonds (distance) P-C4' energy: -93.863 flat angles C4'-P-C4' energy: -98.889 flat angles P-C4'-P energy: -63.302 tors. eta vs tors. theta energy: -125.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1524.786150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.786150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.786150 (E_RNA) where: Base-Base interactions energy: -1060.374 where: short stacking energy: -410.993 Base-Backbone interact. energy: -0.810 local terms energy: -463.602328 where: bonds (distance) C4'-P energy: -87.690 bonds (distance) P-C4' energy: -91.223 flat angles C4'-P-C4' energy: -101.470 flat angles P-C4'-P energy: -55.044 tors. eta vs tors. theta energy: -128.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1383.580232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.580232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.580232 (E_RNA) where: Base-Base interactions energy: -918.972 where: short stacking energy: -381.139 Base-Backbone interact. energy: -0.741 local terms energy: -463.866540 where: bonds (distance) C4'-P energy: -88.486 bonds (distance) P-C4' energy: -88.532 flat angles C4'-P-C4' energy: -92.930 flat angles P-C4'-P energy: -69.622 tors. eta vs tors. theta energy: -124.296 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: 7, replica: 6 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1341.985096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.985096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.985096 (E_RNA) where: Base-Base interactions energy: -903.766 where: short stacking energy: -393.222 Base-Backbone interact. energy: -1.481 local terms energy: -436.737296 where: bonds (distance) C4'-P energy: -79.248 bonds (distance) P-C4' energy: -76.514 flat angles C4'-P-C4' energy: -107.040 flat angles P-C4'-P energy: -66.196 tors. eta vs tors. theta energy: -107.740 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: 7 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1174.983741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.983741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.983741 (E_RNA) where: Base-Base interactions energy: -782.141 where: short stacking energy: -334.244 Base-Backbone interact. energy: -1.730 local terms energy: -391.112708 where: bonds (distance) C4'-P energy: -80.289 bonds (distance) P-C4' energy: -78.111 flat angles C4'-P-C4' energy: -73.814 flat angles P-C4'-P energy: -63.347 tors. eta vs tors. theta energy: -95.551 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: 9 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -1073.118103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.118103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.118103 (E_RNA) where: Base-Base interactions energy: -716.666 where: short stacking energy: -301.561 Base-Backbone interact. energy: -0.412 local terms energy: -356.039343 where: bonds (distance) C4'-P energy: -71.354 bonds (distance) P-C4' energy: -79.760 flat angles C4'-P-C4' energy: -84.899 flat angles P-C4'-P energy: -51.132 tors. eta vs tors. theta energy: -68.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -358.670060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -358.670060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -358.670060 (E_RNA) where: Base-Base interactions energy: -107.973 where: short stacking energy: -99.725 Base-Backbone interact. energy: -0.864 local terms energy: -249.832613 where: bonds (distance) C4'-P energy: -75.979 bonds (distance) P-C4' energy: -69.915 flat angles C4'-P-C4' energy: -75.869 flat angles P-C4'-P energy: -36.568 tors. eta vs tors. theta energy: 8.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1836.085939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.085939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.085939 (E_RNA) where: Base-Base interactions energy: -1284.246 where: short stacking energy: -520.113 Base-Backbone interact. energy: -0.925 local terms energy: -550.914135 where: bonds (distance) C4'-P energy: -93.902 bonds (distance) P-C4' energy: -101.044 flat angles C4'-P-C4' energy: -117.520 flat angles P-C4'-P energy: -76.422 tors. eta vs tors. theta energy: -162.027 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: 2, replica: 2 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1735.703307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.703307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.703307 (E_RNA) where: Base-Base interactions energy: -1203.100 where: short stacking energy: -481.563 Base-Backbone interact. energy: -2.122 local terms energy: -530.481130 where: bonds (distance) C4'-P energy: -90.843 bonds (distance) P-C4' energy: -98.450 flat angles C4'-P-C4' energy: -111.335 flat angles P-C4'-P energy: -79.992 tors. eta vs tors. theta energy: -149.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1697.786846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.786846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.786846 (E_RNA) where: Base-Base interactions energy: -1185.360 where: short stacking energy: -475.150 Base-Backbone interact. energy: -2.256 local terms energy: -510.170801 where: bonds (distance) C4'-P energy: -86.744 bonds (distance) P-C4' energy: -94.097 flat angles C4'-P-C4' energy: -102.518 flat angles P-C4'-P energy: -82.652 tors. eta vs tors. theta energy: -144.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1524.520273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.520273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.520273 (E_RNA) where: Base-Base interactions energy: -1081.457 where: short stacking energy: -441.921 Base-Backbone interact. energy: 0.178 local terms energy: -443.240765 where: bonds (distance) C4'-P energy: -84.528 bonds (distance) P-C4' energy: -85.644 flat angles C4'-P-C4' energy: -96.021 flat angles P-C4'-P energy: -50.740 tors. eta vs tors. theta energy: -126.308 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: 5, replica: 1 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1531.653443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.653443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.653443 (E_RNA) where: Base-Base interactions energy: -1056.901 where: short stacking energy: -425.668 Base-Backbone interact. energy: -0.648 local terms energy: -474.104946 where: bonds (distance) C4'-P energy: -90.234 bonds (distance) P-C4' energy: -100.554 flat angles C4'-P-C4' energy: -87.471 flat angles P-C4'-P energy: -68.160 tors. eta vs tors. theta energy: -127.686 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: 5 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1397.365194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.365194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.365194 (E_RNA) where: Base-Base interactions energy: -938.460 where: short stacking energy: -397.156 Base-Backbone interact. energy: -2.216 local terms energy: -456.689657 where: bonds (distance) C4'-P energy: -77.257 bonds (distance) P-C4' energy: -89.934 flat angles C4'-P-C4' energy: -94.915 flat angles P-C4'-P energy: -70.873 tors. eta vs tors. theta energy: -123.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1225.531405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.531405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.531405 (E_RNA) where: Base-Base interactions energy: -803.811 where: short stacking energy: -356.922 Base-Backbone interact. energy: -0.931 local terms energy: -420.790074 where: bonds (distance) C4'-P energy: -70.786 bonds (distance) P-C4' energy: -84.012 flat angles C4'-P-C4' energy: -92.708 flat angles P-C4'-P energy: -73.926 tors. eta vs tors. theta energy: -99.359 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: 156 Temperature: 1.250000 Total energy: -1279.383921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.383921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.383921 (E_RNA) where: Base-Base interactions energy: -859.369 where: short stacking energy: -369.114 Base-Backbone interact. energy: -2.307 local terms energy: -417.708376 where: bonds (distance) C4'-P energy: -68.589 bonds (distance) P-C4' energy: -76.195 flat angles C4'-P-C4' energy: -97.025 flat angles P-C4'-P energy: -71.310 tors. eta vs tors. theta energy: -104.589 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: 9 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -1059.886442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.886442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.886442 (E_RNA) where: Base-Base interactions energy: -700.593 where: short stacking energy: -279.144 Base-Backbone interact. energy: 0.876 local terms energy: -360.169488 where: bonds (distance) C4'-P energy: -87.422 bonds (distance) P-C4' energy: -83.215 flat angles C4'-P-C4' energy: -75.969 flat angles P-C4'-P energy: -54.969 tors. eta vs tors. theta energy: -58.595 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: 10 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -422.449399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.449399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.449399 (E_RNA) where: Base-Base interactions energy: -220.100 where: short stacking energy: -129.491 Base-Backbone interact. energy: 6.400 local terms energy: -208.748784 where: bonds (distance) C4'-P energy: -59.048 bonds (distance) P-C4' energy: -78.937 flat angles C4'-P-C4' energy: -54.869 flat angles P-C4'-P energy: -29.109 tors. eta vs tors. theta energy: 13.214 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: 3 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1823.011224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.011224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.011224 (E_RNA) where: Base-Base interactions energy: -1286.861 where: short stacking energy: -513.621 Base-Backbone interact. energy: -0.103 local terms energy: -536.046920 where: bonds (distance) C4'-P energy: -84.111 bonds (distance) P-C4' energy: -99.351 flat angles C4'-P-C4' energy: -111.262 flat angles P-C4'-P energy: -76.735 tors. eta vs tors. theta energy: -164.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1742.757965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.757965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.757965 (E_RNA) where: Base-Base interactions energy: -1217.520 where: short stacking energy: -488.087 Base-Backbone interact. energy: -0.417 local terms energy: -524.820762 where: bonds (distance) C4'-P energy: -98.840 bonds (distance) P-C4' energy: -104.033 flat angles C4'-P-C4' energy: -109.144 flat angles P-C4'-P energy: -64.536 tors. eta vs tors. theta energy: -148.268 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: 8 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1715.029563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.029563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.029563 (E_RNA) where: Base-Base interactions energy: -1185.045 where: short stacking energy: -477.632 Base-Backbone interact. energy: -2.267 local terms energy: -527.718258 where: bonds (distance) C4'-P energy: -85.893 bonds (distance) P-C4' energy: -93.496 flat angles C4'-P-C4' energy: -117.230 flat angles P-C4'-P energy: -77.163 tors. eta vs tors. theta energy: -153.936 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: 1 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1571.592429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.592429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.592429 (E_RNA) where: Base-Base interactions energy: -1089.646 where: short stacking energy: -454.278 Base-Backbone interact. energy: 1.852 local terms energy: -483.798847 where: bonds (distance) C4'-P energy: -89.712 bonds (distance) P-C4' energy: -91.161 flat angles C4'-P-C4' energy: -111.193 flat angles P-C4'-P energy: -66.655 tors. eta vs tors. theta energy: -125.078 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: 4 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1483.907234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.907234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.907234 (E_RNA) where: Base-Base interactions energy: -1022.196 where: short stacking energy: -393.390 Base-Backbone interact. energy: 1.579 local terms energy: -463.289964 where: bonds (distance) C4'-P energy: -90.849 bonds (distance) P-C4' energy: -83.776 flat angles C4'-P-C4' energy: -101.134 flat angles P-C4'-P energy: -72.733 tors. eta vs tors. theta energy: -114.798 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: 5 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1390.925684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.925684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.925684 (E_RNA) where: Base-Base interactions energy: -954.044 where: short stacking energy: -381.269 Base-Backbone interact. energy: -0.316 local terms energy: -436.565768 where: bonds (distance) C4'-P energy: -89.848 bonds (distance) P-C4' energy: -83.863 flat angles C4'-P-C4' energy: -95.437 flat angles P-C4'-P energy: -55.277 tors. eta vs tors. theta energy: -112.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1275.049784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.049784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.049784 (E_RNA) where: Base-Base interactions energy: -820.093 where: short stacking energy: -348.895 Base-Backbone interact. energy: -1.215 local terms energy: -453.741371 where: bonds (distance) C4'-P energy: -95.199 bonds (distance) P-C4' energy: -85.571 flat angles C4'-P-C4' energy: -94.744 flat angles P-C4'-P energy: -70.683 tors. eta vs tors. theta energy: -107.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1240.274537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.274537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.274537 (E_RNA) where: Base-Base interactions energy: -831.177 where: short stacking energy: -349.359 Base-Backbone interact. energy: -2.855 local terms energy: -406.242915 where: bonds (distance) C4'-P energy: -85.813 bonds (distance) P-C4' energy: -76.489 flat angles C4'-P-C4' energy: -84.857 flat angles P-C4'-P energy: -68.502 tors. eta vs tors. theta energy: -90.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -1049.611642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.611642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.611642 (E_RNA) where: Base-Base interactions energy: -688.793 where: short stacking energy: -284.223 Base-Backbone interact. energy: 0.051 local terms energy: -360.870210 where: bonds (distance) C4'-P energy: -63.979 bonds (distance) P-C4' energy: -77.413 flat angles C4'-P-C4' energy: -83.720 flat angles P-C4'-P energy: -67.634 tors. eta vs tors. theta energy: -68.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -390.671201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.671201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.671201 (E_RNA) where: Base-Base interactions energy: -155.761 where: short stacking energy: -97.041 Base-Backbone interact. energy: 3.789 local terms energy: -238.698552 where: bonds (distance) C4'-P energy: -84.215 bonds (distance) P-C4' energy: -85.619 flat angles C4'-P-C4' energy: -57.821 flat angles P-C4'-P energy: -20.510 tors. eta vs tors. theta energy: 9.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1851.473327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.473327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.473327 (E_RNA) where: Base-Base interactions energy: -1301.170 where: short stacking energy: -546.925 Base-Backbone interact. energy: -1.706 local terms energy: -548.596929 where: bonds (distance) C4'-P energy: -93.609 bonds (distance) P-C4' energy: -84.861 flat angles C4'-P-C4' energy: -118.745 flat angles P-C4'-P energy: -87.508 tors. eta vs tors. theta energy: -163.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1729.172753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.172753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.172753 (E_RNA) where: Base-Base interactions energy: -1195.655 where: short stacking energy: -475.393 Base-Backbone interact. energy: 1.051 local terms energy: -534.568760 where: bonds (distance) C4'-P energy: -98.049 bonds (distance) P-C4' energy: -93.208 flat angles C4'-P-C4' energy: -111.273 flat angles P-C4'-P energy: -82.347 tors. eta vs tors. theta energy: -149.693 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: 8 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1699.733598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.733598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.733598 (E_RNA) where: Base-Base interactions energy: -1195.629 where: short stacking energy: -499.129 Base-Backbone interact. energy: -0.654 local terms energy: -503.450821 where: bonds (distance) C4'-P energy: -84.886 bonds (distance) P-C4' energy: -76.909 flat angles C4'-P-C4' energy: -109.530 flat angles P-C4'-P energy: -78.354 tors. eta vs tors. theta energy: -153.773 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: 1 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1553.650755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.650755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.650755 (E_RNA) where: Base-Base interactions energy: -1075.636 where: short stacking energy: -442.234 Base-Backbone interact. energy: 4.574 local terms energy: -482.589084 where: bonds (distance) C4'-P energy: -91.244 bonds (distance) P-C4' energy: -92.287 flat angles C4'-P-C4' energy: -107.083 flat angles P-C4'-P energy: -65.289 tors. eta vs tors. theta energy: -126.686 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: 4 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1496.043256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.043256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.043256 (E_RNA) where: Base-Base interactions energy: -1024.221 where: short stacking energy: -407.532 Base-Backbone interact. energy: -1.553 local terms energy: -470.270205 where: bonds (distance) C4'-P energy: -87.809 bonds (distance) P-C4' energy: -87.521 flat angles C4'-P-C4' energy: -97.143 flat angles P-C4'-P energy: -69.156 tors. eta vs tors. theta energy: -128.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1402.781741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.781741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.781741 (E_RNA) where: Base-Base interactions energy: -957.015 where: short stacking energy: -417.374 Base-Backbone interact. energy: -1.278 local terms energy: -444.488626 where: bonds (distance) C4'-P energy: -83.964 bonds (distance) P-C4' energy: -77.569 flat angles C4'-P-C4' energy: -98.770 flat angles P-C4'-P energy: -58.847 tors. eta vs tors. theta energy: -125.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1255.386852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.386852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.386852 (E_RNA) where: Base-Base interactions energy: -836.019 where: short stacking energy: -353.852 Base-Backbone interact. energy: 0.085 local terms energy: -419.453262 where: bonds (distance) C4'-P energy: -88.516 bonds (distance) P-C4' energy: -82.968 flat angles C4'-P-C4' energy: -90.230 flat angles P-C4'-P energy: -57.317 tors. eta vs tors. theta energy: -100.422 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: 7 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1206.410614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.410614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.410614 (E_RNA) where: Base-Base interactions energy: -801.793 where: short stacking energy: -348.762 Base-Backbone interact. energy: -1.424 local terms energy: -403.193651 where: bonds (distance) C4'-P energy: -82.410 bonds (distance) P-C4' energy: -82.388 flat angles C4'-P-C4' energy: -86.504 flat angles P-C4'-P energy: -50.452 tors. eta vs tors. theta energy: -101.440 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: 9 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -1091.052284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.052284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.052284 (E_RNA) where: Base-Base interactions energy: -719.464 where: short stacking energy: -289.046 Base-Backbone interact. energy: 2.648 local terms energy: -374.236284 where: bonds (distance) C4'-P energy: -71.464 bonds (distance) P-C4' energy: -76.175 flat angles C4'-P-C4' energy: -93.566 flat angles P-C4'-P energy: -59.268 tors. eta vs tors. theta energy: -73.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -389.369844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.369844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.369844 (E_RNA) where: Base-Base interactions energy: -148.204 where: short stacking energy: -88.008 Base-Backbone interact. energy: -1.884 local terms energy: -239.281946 where: bonds (distance) C4'-P energy: -73.018 bonds (distance) P-C4' energy: -86.252 flat angles C4'-P-C4' energy: -61.358 flat angles P-C4'-P energy: -33.224 tors. eta vs tors. theta energy: 14.571 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: 3 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1855.792970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.792970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.792970 (E_RNA) where: Base-Base interactions energy: -1296.510 where: short stacking energy: -537.501 Base-Backbone interact. energy: -0.585 local terms energy: -558.697450 where: bonds (distance) C4'-P energy: -102.259 bonds (distance) P-C4' energy: -106.173 flat angles C4'-P-C4' energy: -109.150 flat angles P-C4'-P energy: -72.687 tors. eta vs tors. theta energy: -168.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1752.674688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.674688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.674688 (E_RNA) where: Base-Base interactions energy: -1227.973 where: short stacking energy: -512.382 Base-Backbone interact. energy: -1.552 local terms energy: -523.149324 where: bonds (distance) C4'-P energy: -85.526 bonds (distance) P-C4' energy: -92.415 flat angles C4'-P-C4' energy: -112.607 flat angles P-C4'-P energy: -77.961 tors. eta vs tors. theta energy: -154.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1671.675805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.675805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.675805 (E_RNA) where: Base-Base interactions energy: -1186.999 where: short stacking energy: -470.712 Base-Backbone interact. energy: -0.340 local terms energy: -484.336156 where: bonds (distance) C4'-P energy: -76.524 bonds (distance) P-C4' energy: -86.881 flat angles C4'-P-C4' energy: -101.356 flat angles P-C4'-P energy: -74.488 tors. eta vs tors. theta energy: -145.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1536.543595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.543595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.543595 (E_RNA) where: Base-Base interactions energy: -1052.249 where: short stacking energy: -431.998 Base-Backbone interact. energy: -0.925 local terms energy: -483.369786 where: bonds (distance) C4'-P energy: -85.963 bonds (distance) P-C4' energy: -99.322 flat angles C4'-P-C4' energy: -102.171 flat angles P-C4'-P energy: -69.643 tors. eta vs tors. theta energy: -126.271 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: 4 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1501.948408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.948408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.948408 (E_RNA) where: Base-Base interactions energy: -1055.630 where: short stacking energy: -415.005 Base-Backbone interact. energy: 0.150 local terms energy: -446.468039 where: bonds (distance) C4'-P energy: -67.545 bonds (distance) P-C4' energy: -92.324 flat angles C4'-P-C4' energy: -95.288 flat angles P-C4'-P energy: -73.933 tors. eta vs tors. theta energy: -117.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1357.333291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.333291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.333291 (E_RNA) where: Base-Base interactions energy: -914.322 where: short stacking energy: -378.701 Base-Backbone interact. energy: -2.041 local terms energy: -440.970594 where: bonds (distance) C4'-P energy: -83.059 bonds (distance) P-C4' energy: -88.590 flat angles C4'-P-C4' energy: -98.863 flat angles P-C4'-P energy: -58.403 tors. eta vs tors. theta energy: -112.055 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: 6 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1274.590574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.590574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.590574 (E_RNA) where: Base-Base interactions energy: -850.869 where: short stacking energy: -366.135 Base-Backbone interact. energy: -0.441 local terms energy: -423.279886 where: bonds (distance) C4'-P energy: -87.895 bonds (distance) P-C4' energy: -82.334 flat angles C4'-P-C4' energy: -86.106 flat angles P-C4'-P energy: -63.983 tors. eta vs tors. theta energy: -102.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1167.286906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.286906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.286906 (E_RNA) where: Base-Base interactions energy: -775.682 where: short stacking energy: -313.609 Base-Backbone interact. energy: 1.210 local terms energy: -392.814548 where: bonds (distance) C4'-P energy: -92.651 bonds (distance) P-C4' energy: -63.057 flat angles C4'-P-C4' energy: -89.483 flat angles P-C4'-P energy: -70.443 tors. eta vs tors. theta energy: -77.180 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: 7 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -1167.770726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.770726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.770726 (E_RNA) where: Base-Base interactions energy: -771.658 where: short stacking energy: -313.265 Base-Backbone interact. energy: -2.174 local terms energy: -393.938687 where: bonds (distance) C4'-P energy: -71.445 bonds (distance) P-C4' energy: -83.553 flat angles C4'-P-C4' energy: -86.318 flat angles P-C4'-P energy: -63.779 tors. eta vs tors. theta energy: -88.843 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: 10, replica: 10 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -441.472609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.472609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.472609 (E_RNA) where: Base-Base interactions energy: -216.512 where: short stacking energy: -131.703 Base-Backbone interact. energy: 5.137 local terms energy: -230.096663 where: bonds (distance) C4'-P energy: -59.982 bonds (distance) P-C4' energy: -75.151 flat angles C4'-P-C4' energy: -62.756 flat angles P-C4'-P energy: -46.483 tors. eta vs tors. theta energy: 14.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1842.026567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.026567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.026567 (E_RNA) where: Base-Base interactions energy: -1298.296 where: short stacking energy: -509.594 Base-Backbone interact. energy: -0.783 local terms energy: -542.948051 where: bonds (distance) C4'-P energy: -101.414 bonds (distance) P-C4' energy: -98.968 flat angles C4'-P-C4' energy: -111.111 flat angles P-C4'-P energy: -77.484 tors. eta vs tors. theta energy: -153.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1768.125291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.125291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.125291 (E_RNA) where: Base-Base interactions energy: -1234.186 where: short stacking energy: -504.101 Base-Backbone interact. energy: -1.075 local terms energy: -532.864309 where: bonds (distance) C4'-P energy: -95.408 bonds (distance) P-C4' energy: -99.877 flat angles C4'-P-C4' energy: -112.851 flat angles P-C4'-P energy: -62.597 tors. eta vs tors. theta energy: -162.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1693.778100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.778100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.778100 (E_RNA) where: Base-Base interactions energy: -1183.229 where: short stacking energy: -471.368 Base-Backbone interact. energy: 0.157 local terms energy: -510.705889 where: bonds (distance) C4'-P energy: -91.670 bonds (distance) P-C4' energy: -92.096 flat angles C4'-P-C4' energy: -112.195 flat angles P-C4'-P energy: -66.477 tors. eta vs tors. theta energy: -148.267 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: 1 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1562.842030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.842030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.842030 (E_RNA) where: Base-Base interactions energy: -1078.529 where: short stacking energy: -454.207 Base-Backbone interact. energy: -0.430 local terms energy: -483.882679 where: bonds (distance) C4'-P energy: -86.089 bonds (distance) P-C4' energy: -90.498 flat angles C4'-P-C4' energy: -101.297 flat angles P-C4'-P energy: -74.221 tors. eta vs tors. theta energy: -131.777 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: 4 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1486.708236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.708236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.708236 (E_RNA) where: Base-Base interactions energy: -1035.670 where: short stacking energy: -416.418 Base-Backbone interact. energy: -0.322 local terms energy: -450.716945 where: bonds (distance) C4'-P energy: -84.689 bonds (distance) P-C4' energy: -92.990 flat angles C4'-P-C4' energy: -91.167 flat angles P-C4'-P energy: -68.383 tors. eta vs tors. theta energy: -113.488 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: 5 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1349.676052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.676052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.676052 (E_RNA) where: Base-Base interactions energy: -921.502 where: short stacking energy: -383.598 Base-Backbone interact. energy: 0.352 local terms energy: -428.525531 where: bonds (distance) C4'-P energy: -94.315 bonds (distance) P-C4' energy: -67.832 flat angles C4'-P-C4' energy: -97.871 flat angles P-C4'-P energy: -69.117 tors. eta vs tors. theta energy: -99.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1269.158565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.158565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.158565 (E_RNA) where: Base-Base interactions energy: -856.287 where: short stacking energy: -355.936 Base-Backbone interact. energy: 0.671 local terms energy: -413.542842 where: bonds (distance) C4'-P energy: -72.036 bonds (distance) P-C4' energy: -88.662 flat angles C4'-P-C4' energy: -105.185 flat angles P-C4'-P energy: -54.882 tors. eta vs tors. theta energy: -92.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1124.565676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.565676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.565676 (E_RNA) where: Base-Base interactions energy: -739.838 where: short stacking energy: -315.987 Base-Backbone interact. energy: 0.515 local terms energy: -385.242154 where: bonds (distance) C4'-P energy: -88.792 bonds (distance) P-C4' energy: -79.878 flat angles C4'-P-C4' energy: -78.592 flat angles P-C4'-P energy: -53.461 tors. eta vs tors. theta energy: -84.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -1143.039635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.039635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.039635 (E_RNA) where: Base-Base interactions energy: -764.320 where: short stacking energy: -334.345 Base-Backbone interact. energy: -1.922 local terms energy: -376.797365 where: bonds (distance) C4'-P energy: -74.849 bonds (distance) P-C4' energy: -65.230 flat angles C4'-P-C4' energy: -85.466 flat angles P-C4'-P energy: -56.205 tors. eta vs tors. theta energy: -95.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -449.453004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.453004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.453004 (E_RNA) where: Base-Base interactions energy: -212.366 where: short stacking energy: -122.327 Base-Backbone interact. energy: -0.125 local terms energy: -236.961915 where: bonds (distance) C4'-P energy: -82.673 bonds (distance) P-C4' energy: -77.902 flat angles C4'-P-C4' energy: -65.230 flat angles P-C4'-P energy: -16.827 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: 1, replica: 3 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1850.265362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.265362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.265362 (E_RNA) where: Base-Base interactions energy: -1283.349 where: short stacking energy: -545.644 Base-Backbone interact. energy: 1.260 local terms energy: -568.176817 where: bonds (distance) C4'-P energy: -105.206 bonds (distance) P-C4' energy: -100.776 flat angles C4'-P-C4' energy: -115.860 flat angles P-C4'-P energy: -77.010 tors. eta vs tors. theta energy: -169.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1769.922275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.922275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.922275 (E_RNA) where: Base-Base interactions energy: -1224.853 where: short stacking energy: -491.571 Base-Backbone interact. energy: -1.123 local terms energy: -543.946446 where: bonds (distance) C4'-P energy: -99.988 bonds (distance) P-C4' energy: -96.697 flat angles C4'-P-C4' energy: -114.623 flat angles P-C4'-P energy: -79.992 tors. eta vs tors. theta energy: -152.647 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: 3, replica: 2 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1691.724827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.724827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.724827 (E_RNA) where: Base-Base interactions energy: -1194.912 where: short stacking energy: -486.950 Base-Backbone interact. energy: -1.724 local terms energy: -495.088165 where: bonds (distance) C4'-P energy: -86.940 bonds (distance) P-C4' energy: -94.786 flat angles C4'-P-C4' energy: -103.684 flat angles P-C4'-P energy: -69.449 tors. eta vs tors. theta energy: -140.229 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: 4 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1533.535227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.535227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.535227 (E_RNA) where: Base-Base interactions energy: -1074.685 where: short stacking energy: -434.322 Base-Backbone interact. energy: 5.924 local terms energy: -464.773613 where: bonds (distance) C4'-P energy: -89.794 bonds (distance) P-C4' energy: -96.108 flat angles C4'-P-C4' energy: -91.928 flat angles P-C4'-P energy: -56.112 tors. eta vs tors. theta energy: -130.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1497.840691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.840691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.840691 (E_RNA) where: Base-Base interactions energy: -1046.529 where: short stacking energy: -421.516 Base-Backbone interact. energy: -0.376 local terms energy: -450.936044 where: bonds (distance) C4'-P energy: -73.105 bonds (distance) P-C4' energy: -93.779 flat angles C4'-P-C4' energy: -98.448 flat angles P-C4'-P energy: -69.180 tors. eta vs tors. theta energy: -116.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1415.530757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.530757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.530757 (E_RNA) where: Base-Base interactions energy: -975.071 where: short stacking energy: -408.851 Base-Backbone interact. energy: -1.630 local terms energy: -438.828860 where: bonds (distance) C4'-P energy: -76.391 bonds (distance) P-C4' energy: -85.474 flat angles C4'-P-C4' energy: -97.046 flat angles P-C4'-P energy: -62.346 tors. eta vs tors. theta energy: -117.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1312.755994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.755994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.755994 (E_RNA) where: Base-Base interactions energy: -883.486 where: short stacking energy: -387.686 Base-Backbone interact. energy: -1.256 local terms energy: -428.014816 where: bonds (distance) C4'-P energy: -75.988 bonds (distance) P-C4' energy: -78.094 flat angles C4'-P-C4' energy: -94.436 flat angles P-C4'-P energy: -73.063 tors. eta vs tors. theta energy: -106.433 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: 7 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1265.957583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.957583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.957583 (E_RNA) where: Base-Base interactions energy: -848.608 where: short stacking energy: -361.502 Base-Backbone interact. energy: -0.672 local terms energy: -416.678186 where: bonds (distance) C4'-P energy: -81.470 bonds (distance) P-C4' energy: -71.255 flat angles C4'-P-C4' energy: -97.067 flat angles P-C4'-P energy: -68.903 tors. eta vs tors. theta energy: -97.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -1098.300207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.300207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.300207 (E_RNA) where: Base-Base interactions energy: -729.139 where: short stacking energy: -318.728 Base-Backbone interact. energy: -1.658 local terms energy: -367.503640 where: bonds (distance) C4'-P energy: -63.232 bonds (distance) P-C4' energy: -83.403 flat angles C4'-P-C4' energy: -88.247 flat angles P-C4'-P energy: -47.816 tors. eta vs tors. theta energy: -84.807 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: 10 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -460.954809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.954809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.954809 (E_RNA) where: Base-Base interactions energy: -218.613 where: short stacking energy: -130.209 Base-Backbone interact. energy: -0.876 local terms energy: -241.466372 where: bonds (distance) C4'-P energy: -82.010 bonds (distance) P-C4' energy: -76.564 flat angles C4'-P-C4' energy: -66.529 flat angles P-C4'-P energy: -24.901 tors. eta vs tors. theta energy: 8.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1842.147054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.147054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.147054 (E_RNA) where: Base-Base interactions energy: -1294.129 where: short stacking energy: -542.011 Base-Backbone interact. energy: 2.241 local terms energy: -550.258519 where: bonds (distance) C4'-P energy: -92.776 bonds (distance) P-C4' energy: -104.720 flat angles C4'-P-C4' energy: -116.094 flat angles P-C4'-P energy: -75.143 tors. eta vs tors. theta energy: -161.525 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: 8 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1774.254353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.254353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.254353 (E_RNA) where: Base-Base interactions energy: -1241.473 where: short stacking energy: -516.913 Base-Backbone interact. energy: -1.577 local terms energy: -531.204226 where: bonds (distance) C4'-P energy: -91.237 bonds (distance) P-C4' energy: -91.306 flat angles C4'-P-C4' energy: -109.656 flat angles P-C4'-P energy: -80.073 tors. eta vs tors. theta energy: -158.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1717.902081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.902081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.902081 (E_RNA) where: Base-Base interactions energy: -1226.689 where: short stacking energy: -494.378 Base-Backbone interact. energy: -1.395 local terms energy: -489.817725 where: bonds (distance) C4'-P energy: -85.839 bonds (distance) P-C4' energy: -91.847 flat angles C4'-P-C4' energy: -106.792 flat angles P-C4'-P energy: -62.234 tors. eta vs tors. theta energy: -143.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1515.193105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.193105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.193105 (E_RNA) where: Base-Base interactions energy: -1048.541 where: short stacking energy: -425.515 Base-Backbone interact. energy: 0.093 local terms energy: -466.745109 where: bonds (distance) C4'-P energy: -91.237 bonds (distance) P-C4' energy: -78.715 flat angles C4'-P-C4' energy: -107.654 flat angles P-C4'-P energy: -70.459 tors. eta vs tors. theta energy: -118.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1489.099777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.099777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.099777 (E_RNA) where: Base-Base interactions energy: -1029.772 where: short stacking energy: -423.386 Base-Backbone interact. energy: -1.634 local terms energy: -457.693983 where: bonds (distance) C4'-P energy: -78.675 bonds (distance) P-C4' energy: -80.215 flat angles C4'-P-C4' energy: -99.294 flat angles P-C4'-P energy: -78.482 tors. eta vs tors. theta energy: -121.028 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: 5 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1400.551350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.551350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.551350 (E_RNA) where: Base-Base interactions energy: -953.358 where: short stacking energy: -392.705 Base-Backbone interact. energy: -1.857 local terms energy: -445.337086 where: bonds (distance) C4'-P energy: -79.978 bonds (distance) P-C4' energy: -88.723 flat angles C4'-P-C4' energy: -94.333 flat angles P-C4'-P energy: -63.591 tors. eta vs tors. theta energy: -118.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1318.600580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.600580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.600580 (E_RNA) where: Base-Base interactions energy: -896.770 where: short stacking energy: -392.051 Base-Backbone interact. energy: -1.207 local terms energy: -420.623949 where: bonds (distance) C4'-P energy: -74.705 bonds (distance) P-C4' energy: -76.203 flat angles C4'-P-C4' energy: -95.027 flat angles P-C4'-P energy: -61.394 tors. eta vs tors. theta energy: -113.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1225.081618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.081618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.081618 (E_RNA) where: Base-Base interactions energy: -831.674 where: short stacking energy: -329.739 Base-Backbone interact. energy: 0.608 local terms energy: -394.015610 where: bonds (distance) C4'-P energy: -70.328 bonds (distance) P-C4' energy: -91.808 flat angles C4'-P-C4' energy: -85.395 flat angles P-C4'-P energy: -57.613 tors. eta vs tors. theta energy: -88.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -1116.943517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.943517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.943517 (E_RNA) where: Base-Base interactions energy: -743.223 where: short stacking energy: -301.597 Base-Backbone interact. energy: -1.353 local terms energy: -372.367662 where: bonds (distance) C4'-P energy: -86.582 bonds (distance) P-C4' energy: -97.076 flat angles C4'-P-C4' energy: -81.096 flat angles P-C4'-P energy: -49.717 tors. eta vs tors. theta energy: -57.897 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: 10 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -371.772301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.772301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.772301 (E_RNA) where: Base-Base interactions energy: -122.917 where: short stacking energy: -84.750 Base-Backbone interact. energy: -1.989 local terms energy: -246.866278 where: bonds (distance) C4'-P energy: -82.663 bonds (distance) P-C4' energy: -81.896 flat angles C4'-P-C4' energy: -58.946 flat angles P-C4'-P energy: -47.621 tors. eta vs tors. theta energy: 24.259 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: 3 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1823.082697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.082697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.082697 (E_RNA) where: Base-Base interactions energy: -1298.709 where: short stacking energy: -520.456 Base-Backbone interact. energy: -1.557 local terms energy: -522.816748 where: bonds (distance) C4'-P energy: -94.874 bonds (distance) P-C4' energy: -97.242 flat angles C4'-P-C4' energy: -107.914 flat angles P-C4'-P energy: -66.601 tors. eta vs tors. theta energy: -156.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1772.617546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.617546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.617546 (E_RNA) where: Base-Base interactions energy: -1242.838 where: short stacking energy: -508.722 Base-Backbone interact. energy: 0.069 local terms energy: -529.848876 where: bonds (distance) C4'-P energy: -79.313 bonds (distance) P-C4' energy: -98.695 flat angles C4'-P-C4' energy: -110.620 flat angles P-C4'-P energy: -79.693 tors. eta vs tors. theta energy: -161.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1670.583471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.583471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.583471 (E_RNA) where: Base-Base interactions energy: -1174.476 where: short stacking energy: -466.057 Base-Backbone interact. energy: -1.645 local terms energy: -494.462792 where: bonds (distance) C4'-P energy: -92.014 bonds (distance) P-C4' energy: -94.953 flat angles C4'-P-C4' energy: -102.559 flat angles P-C4'-P energy: -62.240 tors. eta vs tors. theta energy: -142.696 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: 4 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1578.102193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.102193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.102193 (E_RNA) where: Base-Base interactions energy: -1088.391 where: short stacking energy: -437.932 Base-Backbone interact. energy: -0.176 local terms energy: -489.535724 where: bonds (distance) C4'-P energy: -96.164 bonds (distance) P-C4' energy: -97.007 flat angles C4'-P-C4' energy: -106.256 flat angles P-C4'-P energy: -62.502 tors. eta vs tors. theta energy: -127.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1445.294439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.294439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.294439 (E_RNA) where: Base-Base interactions energy: -981.692 where: short stacking energy: -390.855 Base-Backbone interact. energy: -0.823 local terms energy: -462.779618 where: bonds (distance) C4'-P energy: -85.015 bonds (distance) P-C4' energy: -90.522 flat angles C4'-P-C4' energy: -87.002 flat angles P-C4'-P energy: -78.246 tors. eta vs tors. theta energy: -121.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1384.734780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.734780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.734780 (E_RNA) where: Base-Base interactions energy: -941.774 where: short stacking energy: -402.256 Base-Backbone interact. energy: 1.712 local terms energy: -444.672527 where: bonds (distance) C4'-P energy: -84.494 bonds (distance) P-C4' energy: -77.746 flat angles C4'-P-C4' energy: -94.640 flat angles P-C4'-P energy: -63.945 tors. eta vs tors. theta energy: -123.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1309.095126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.095126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.095126 (E_RNA) where: Base-Base interactions energy: -906.558 where: short stacking energy: -398.116 Base-Backbone interact. energy: 2.493 local terms energy: -405.030281 where: bonds (distance) C4'-P energy: -68.347 bonds (distance) P-C4' energy: -79.808 flat angles C4'-P-C4' energy: -88.503 flat angles P-C4'-P energy: -65.852 tors. eta vs tors. theta energy: -102.520 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: 8, replica: 7 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1224.701948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.701948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.701948 (E_RNA) where: Base-Base interactions energy: -834.815 where: short stacking energy: -362.773 Base-Backbone interact. energy: -0.409 local terms energy: -389.477086 where: bonds (distance) C4'-P energy: -59.999 bonds (distance) P-C4' energy: -64.257 flat angles C4'-P-C4' energy: -102.266 flat angles P-C4'-P energy: -60.390 tors. eta vs tors. theta energy: -102.565 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: 163 Temperature: 1.300000 Total energy: -1080.656267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.656267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.656267 (E_RNA) where: Base-Base interactions energy: -713.462 where: short stacking energy: -287.669 Base-Backbone interact. energy: -1.906 local terms energy: -365.288731 where: bonds (distance) C4'-P energy: -75.765 bonds (distance) P-C4' energy: -79.079 flat angles C4'-P-C4' energy: -80.242 flat angles P-C4'-P energy: -56.266 tors. eta vs tors. theta energy: -73.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -367.857979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.857979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.857979 (E_RNA) where: Base-Base interactions energy: -134.457 where: short stacking energy: -97.370 Base-Backbone interact. energy: 3.493 local terms energy: -236.894453 where: bonds (distance) C4'-P energy: -73.400 bonds (distance) P-C4' energy: -76.192 flat angles C4'-P-C4' energy: -63.718 flat angles P-C4'-P energy: -46.043 tors. eta vs tors. theta energy: 22.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1828.108911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.108911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.108911 (E_RNA) where: Base-Base interactions energy: -1291.810 where: short stacking energy: -520.277 Base-Backbone interact. energy: -0.781 local terms energy: -535.517981 where: bonds (distance) C4'-P energy: -91.918 bonds (distance) P-C4' energy: -88.679 flat angles C4'-P-C4' energy: -109.583 flat angles P-C4'-P energy: -86.190 tors. eta vs tors. theta energy: -159.148 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: 164 Temperature: 0.950000 Total energy: -1791.075977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.075977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.075977 (E_RNA) where: Base-Base interactions energy: -1249.533 where: short stacking energy: -521.491 Base-Backbone interact. energy: 0.144 local terms energy: -541.686901 where: bonds (distance) C4'-P energy: -94.976 bonds (distance) P-C4' energy: -87.075 flat angles C4'-P-C4' energy: -115.230 flat angles P-C4'-P energy: -79.574 tors. eta vs tors. theta energy: -164.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1665.671844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.671844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.671844 (E_RNA) where: Base-Base interactions energy: -1163.994 where: short stacking energy: -466.362 Base-Backbone interact. energy: 3.096 local terms energy: -504.774117 where: bonds (distance) C4'-P energy: -89.341 bonds (distance) P-C4' energy: -91.520 flat angles C4'-P-C4' energy: -107.425 flat angles P-C4'-P energy: -79.654 tors. eta vs tors. theta energy: -136.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1608.380742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.380742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.380742 (E_RNA) where: Base-Base interactions energy: -1138.018 where: short stacking energy: -463.054 Base-Backbone interact. energy: -1.253 local terms energy: -469.109424 where: bonds (distance) C4'-P energy: -96.157 bonds (distance) P-C4' energy: -72.135 flat angles C4'-P-C4' energy: -101.356 flat angles P-C4'-P energy: -60.080 tors. eta vs tors. theta energy: -139.381 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: 1 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1470.927122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.927122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.927122 (E_RNA) where: Base-Base interactions energy: -1015.899 where: short stacking energy: -411.722 Base-Backbone interact. energy: -2.830 local terms energy: -452.197973 where: bonds (distance) C4'-P energy: -73.176 bonds (distance) P-C4' energy: -89.403 flat angles C4'-P-C4' energy: -101.253 flat angles P-C4'-P energy: -68.716 tors. eta vs tors. theta energy: -119.650 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: 5 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1405.002881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.002881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.002881 (E_RNA) where: Base-Base interactions energy: -958.411 where: short stacking energy: -398.106 Base-Backbone interact. energy: -0.500 local terms energy: -446.092547 where: bonds (distance) C4'-P energy: -86.454 bonds (distance) P-C4' energy: -82.565 flat angles C4'-P-C4' energy: -91.701 flat angles P-C4'-P energy: -68.363 tors. eta vs tors. theta energy: -117.010 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: 7 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1263.966483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.966483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.966483 (E_RNA) where: Base-Base interactions energy: -863.846 where: short stacking energy: -362.796 Base-Backbone interact. energy: -0.395 local terms energy: -399.725480 where: bonds (distance) C4'-P energy: -75.146 bonds (distance) P-C4' energy: -55.497 flat angles C4'-P-C4' energy: -95.549 flat angles P-C4'-P energy: -65.634 tors. eta vs tors. theta energy: -107.900 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: 6 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1250.805395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.805395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.805395 (E_RNA) where: Base-Base interactions energy: -854.114 where: short stacking energy: -367.434 Base-Backbone interact. energy: 0.450 local terms energy: -397.140852 where: bonds (distance) C4'-P energy: -64.026 bonds (distance) P-C4' energy: -78.366 flat angles C4'-P-C4' energy: -94.371 flat angles P-C4'-P energy: -64.673 tors. eta vs tors. theta energy: -95.705 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: 9 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -1097.523131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.523131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.523131 (E_RNA) where: Base-Base interactions energy: -720.421 where: short stacking energy: -296.544 Base-Backbone interact. energy: -1.577 local terms energy: -375.524782 where: bonds (distance) C4'-P energy: -78.489 bonds (distance) P-C4' energy: -80.563 flat angles C4'-P-C4' energy: -88.351 flat angles P-C4'-P energy: -60.625 tors. eta vs tors. theta energy: -67.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -363.110150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.110150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.110150 (E_RNA) where: Base-Base interactions energy: -140.613 where: short stacking energy: -105.882 Base-Backbone interact. energy: -3.277 local terms energy: -219.220412 where: bonds (distance) C4'-P energy: -67.822 bonds (distance) P-C4' energy: -81.684 flat angles C4'-P-C4' energy: -42.104 flat angles P-C4'-P energy: -44.438 tors. eta vs tors. theta energy: 16.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1850.729746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.729746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.729746 (E_RNA) where: Base-Base interactions energy: -1310.855 where: short stacking energy: -529.772 Base-Backbone interact. energy: -1.220 local terms energy: -538.655312 where: bonds (distance) C4'-P energy: -91.414 bonds (distance) P-C4' energy: -96.425 flat angles C4'-P-C4' energy: -111.314 flat angles P-C4'-P energy: -81.387 tors. eta vs tors. theta energy: -158.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1767.118713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.118713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.118713 (E_RNA) where: Base-Base interactions energy: -1239.487 where: short stacking energy: -508.252 Base-Backbone interact. energy: -0.569 local terms energy: -527.062710 where: bonds (distance) C4'-P energy: -88.829 bonds (distance) P-C4' energy: -86.059 flat angles C4'-P-C4' energy: -116.325 flat angles P-C4'-P energy: -75.040 tors. eta vs tors. theta energy: -160.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1683.896946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.896946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.896946 (E_RNA) where: Base-Base interactions energy: -1177.057 where: short stacking energy: -476.504 Base-Backbone interact. energy: -0.011 local terms energy: -506.829010 where: bonds (distance) C4'-P energy: -87.884 bonds (distance) P-C4' energy: -98.240 flat angles C4'-P-C4' energy: -108.477 flat angles P-C4'-P energy: -71.430 tors. eta vs tors. theta energy: -140.797 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: 4 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1586.597358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.597358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.597358 (E_RNA) where: Base-Base interactions energy: -1112.305 where: short stacking energy: -420.606 Base-Backbone interact. energy: -1.213 local terms energy: -473.078996 where: bonds (distance) C4'-P energy: -89.139 bonds (distance) P-C4' energy: -88.404 flat angles C4'-P-C4' energy: -103.438 flat angles P-C4'-P energy: -66.088 tors. eta vs tors. theta energy: -126.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1460.063936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.063936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.063936 (E_RNA) where: Base-Base interactions energy: -1005.985 where: short stacking energy: -410.583 Base-Backbone interact. energy: -0.775 local terms energy: -453.303821 where: bonds (distance) C4'-P energy: -78.364 bonds (distance) P-C4' energy: -94.649 flat angles C4'-P-C4' energy: -95.081 flat angles P-C4'-P energy: -67.077 tors. eta vs tors. theta energy: -118.133 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: 5 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1414.339576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.339576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.339576 (E_RNA) where: Base-Base interactions energy: -971.124 where: short stacking energy: -402.170 Base-Backbone interact. energy: -0.413 local terms energy: -442.801804 where: bonds (distance) C4'-P energy: -80.420 bonds (distance) P-C4' energy: -81.421 flat angles C4'-P-C4' energy: -96.165 flat angles P-C4'-P energy: -70.889 tors. eta vs tors. theta energy: -113.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1263.126887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.126887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.126887 (E_RNA) where: Base-Base interactions energy: -831.866 where: short stacking energy: -360.357 Base-Backbone interact. energy: -0.633 local terms energy: -430.627385 where: bonds (distance) C4'-P energy: -85.012 bonds (distance) P-C4' energy: -90.698 flat angles C4'-P-C4' energy: -89.124 flat angles P-C4'-P energy: -55.785 tors. eta vs tors. theta energy: -110.009 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: 6 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1226.721326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.721326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.721326 (E_RNA) where: Base-Base interactions energy: -820.842 where: short stacking energy: -329.254 Base-Backbone interact. energy: -0.514 local terms energy: -405.365846 where: bonds (distance) C4'-P energy: -83.354 bonds (distance) P-C4' energy: -91.223 flat angles C4'-P-C4' energy: -85.509 flat angles P-C4'-P energy: -59.109 tors. eta vs tors. theta energy: -86.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -1103.329698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.329698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.329698 (E_RNA) where: Base-Base interactions energy: -732.953 where: short stacking energy: -294.337 Base-Backbone interact. energy: -1.463 local terms energy: -368.913630 where: bonds (distance) C4'-P energy: -65.571 bonds (distance) P-C4' energy: -83.351 flat angles C4'-P-C4' energy: -87.066 flat angles P-C4'-P energy: -55.512 tors. eta vs tors. theta energy: -77.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -344.837969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.837969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.837969 (E_RNA) where: Base-Base interactions energy: -107.679 where: short stacking energy: -75.137 Base-Backbone interact. energy: 0.454 local terms energy: -237.612106 where: bonds (distance) C4'-P energy: -89.276 bonds (distance) P-C4' energy: -74.800 flat angles C4'-P-C4' energy: -63.552 flat angles P-C4'-P energy: -39.382 tors. eta vs tors. theta energy: 29.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1857.359181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.359181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.359181 (E_RNA) where: Base-Base interactions energy: -1306.914 where: short stacking energy: -528.301 Base-Backbone interact. energy: -1.483 local terms energy: -548.962323 where: bonds (distance) C4'-P energy: -91.515 bonds (distance) P-C4' energy: -91.101 flat angles C4'-P-C4' energy: -113.328 flat angles P-C4'-P energy: -85.331 tors. eta vs tors. theta energy: -167.687 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: 8 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1777.816948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.816948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.816948 (E_RNA) where: Base-Base interactions energy: -1230.232 where: short stacking energy: -513.358 Base-Backbone interact. energy: -0.637 local terms energy: -546.947593 where: bonds (distance) C4'-P energy: -91.041 bonds (distance) P-C4' energy: -103.278 flat angles C4'-P-C4' energy: -112.262 flat angles P-C4'-P energy: -75.652 tors. eta vs tors. theta energy: -164.714 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: 2 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1656.598522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.598522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.598522 (E_RNA) where: Base-Base interactions energy: -1131.794 where: short stacking energy: -457.109 Base-Backbone interact. energy: 0.390 local terms energy: -525.194365 where: bonds (distance) C4'-P energy: -91.060 bonds (distance) P-C4' energy: -97.763 flat angles C4'-P-C4' energy: -114.434 flat angles P-C4'-P energy: -77.291 tors. eta vs tors. theta energy: -144.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1523.888014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.888014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.888014 (E_RNA) where: Base-Base interactions energy: -1068.399 where: short stacking energy: -429.393 Base-Backbone interact. energy: 3.899 local terms energy: -459.388003 where: bonds (distance) C4'-P energy: -76.857 bonds (distance) P-C4' energy: -95.981 flat angles C4'-P-C4' energy: -100.908 flat angles P-C4'-P energy: -58.715 tors. eta vs tors. theta energy: -126.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1435.835938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.835938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.835938 (E_RNA) where: Base-Base interactions energy: -969.778 where: short stacking energy: -411.438 Base-Backbone interact. energy: -2.143 local terms energy: -463.915864 where: bonds (distance) C4'-P energy: -94.910 bonds (distance) P-C4' energy: -81.477 flat angles C4'-P-C4' energy: -105.242 flat angles P-C4'-P energy: -67.426 tors. eta vs tors. theta energy: -114.860 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: 1 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1367.842649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.842649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.842649 (E_RNA) where: Base-Base interactions energy: -945.251 where: short stacking energy: -393.709 Base-Backbone interact. energy: -0.921 local terms energy: -421.670518 where: bonds (distance) C4'-P energy: -89.291 bonds (distance) P-C4' energy: -72.631 flat angles C4'-P-C4' energy: -96.458 flat angles P-C4'-P energy: -54.394 tors. eta vs tors. theta energy: -108.897 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: 6 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1348.583991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.583991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.583991 (E_RNA) where: Base-Base interactions energy: -937.402 where: short stacking energy: -403.461 Base-Backbone interact. energy: -0.170 local terms energy: -411.012019 where: bonds (distance) C4'-P energy: -69.751 bonds (distance) P-C4' energy: -66.536 flat angles C4'-P-C4' energy: -92.845 flat angles P-C4'-P energy: -69.554 tors. eta vs tors. theta energy: -112.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1259.102091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.102091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.102091 (E_RNA) where: Base-Base interactions energy: -863.395 where: short stacking energy: -369.268 Base-Backbone interact. energy: -1.036 local terms energy: -394.670800 where: bonds (distance) C4'-P energy: -75.542 bonds (distance) P-C4' energy: -74.008 flat angles C4'-P-C4' energy: -69.488 flat angles P-C4'-P energy: -64.932 tors. eta vs tors. theta energy: -110.701 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: 9 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -1042.994800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.994800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.994800 (E_RNA) where: Base-Base interactions energy: -681.064 where: short stacking energy: -288.672 Base-Backbone interact. energy: -1.869 local terms energy: -360.062420 where: bonds (distance) C4'-P energy: -77.073 bonds (distance) P-C4' energy: -84.652 flat angles C4'-P-C4' energy: -74.626 flat angles P-C4'-P energy: -45.940 tors. eta vs tors. theta energy: -77.772 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: 10 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -354.244271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.244271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.244271 (E_RNA) where: Base-Base interactions energy: -127.544 where: short stacking energy: -97.266 Base-Backbone interact. energy: 8.444 local terms energy: -235.144748 where: bonds (distance) C4'-P energy: -66.715 bonds (distance) P-C4' energy: -88.845 flat angles C4'-P-C4' energy: -61.477 flat angles P-C4'-P energy: -40.905 tors. eta vs tors. theta energy: 22.797 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: 3 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1848.413314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.413314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.413314 (E_RNA) where: Base-Base interactions energy: -1298.648 where: short stacking energy: -531.745 Base-Backbone interact. energy: -0.745 local terms energy: -549.019785 where: bonds (distance) C4'-P energy: -94.285 bonds (distance) P-C4' energy: -107.018 flat angles C4'-P-C4' energy: -105.204 flat angles P-C4'-P energy: -76.415 tors. eta vs tors. theta energy: -166.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1785.569920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.569920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.569920 (E_RNA) where: Base-Base interactions energy: -1237.603 where: short stacking energy: -513.866 Base-Backbone interact. energy: -0.397 local terms energy: -547.569566 where: bonds (distance) C4'-P energy: -100.124 bonds (distance) P-C4' energy: -95.380 flat angles C4'-P-C4' energy: -116.328 flat angles P-C4'-P energy: -73.079 tors. eta vs tors. theta energy: -162.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1662.905781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.905781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.905781 (E_RNA) where: Base-Base interactions energy: -1150.395 where: short stacking energy: -449.502 Base-Backbone interact. energy: 0.005 local terms energy: -512.515528 where: bonds (distance) C4'-P energy: -97.204 bonds (distance) P-C4' energy: -97.818 flat angles C4'-P-C4' energy: -113.057 flat angles P-C4'-P energy: -66.849 tors. eta vs tors. theta energy: -137.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1540.389143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.389143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.389143 (E_RNA) where: Base-Base interactions energy: -1061.878 where: short stacking energy: -419.693 Base-Backbone interact. energy: -4.717 local terms energy: -473.793944 where: bonds (distance) C4'-P energy: -90.261 bonds (distance) P-C4' energy: -101.690 flat angles C4'-P-C4' energy: -97.674 flat angles P-C4'-P energy: -68.472 tors. eta vs tors. theta energy: -115.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1451.123054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.123054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.123054 (E_RNA) where: Base-Base interactions energy: -990.193 where: short stacking energy: -389.637 Base-Backbone interact. energy: 0.961 local terms energy: -461.890806 where: bonds (distance) C4'-P energy: -96.106 bonds (distance) P-C4' energy: -85.254 flat angles C4'-P-C4' energy: -100.712 flat angles P-C4'-P energy: -65.583 tors. eta vs tors. theta energy: -114.235 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: 6 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1405.511365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.511365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.511365 (E_RNA) where: Base-Base interactions energy: -954.945 where: short stacking energy: -395.872 Base-Backbone interact. energy: -1.611 local terms energy: -448.955642 where: bonds (distance) C4'-P energy: -79.047 bonds (distance) P-C4' energy: -92.665 flat angles C4'-P-C4' energy: -93.911 flat angles P-C4'-P energy: -63.849 tors. eta vs tors. theta energy: -119.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1332.966189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.966189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.966189 (E_RNA) where: Base-Base interactions energy: -908.383 where: short stacking energy: -366.062 Base-Backbone interact. energy: -1.405 local terms energy: -423.177618 where: bonds (distance) C4'-P energy: -73.605 bonds (distance) P-C4' energy: -83.391 flat angles C4'-P-C4' energy: -95.069 flat angles P-C4'-P energy: -54.673 tors. eta vs tors. theta energy: -116.439 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: 7 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1223.494632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.494632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.494632 (E_RNA) where: Base-Base interactions energy: -814.403 where: short stacking energy: -340.730 Base-Backbone interact. energy: 0.690 local terms energy: -409.782197 where: bonds (distance) C4'-P energy: -83.332 bonds (distance) P-C4' energy: -81.827 flat angles C4'-P-C4' energy: -85.636 flat angles P-C4'-P energy: -47.305 tors. eta vs tors. theta energy: -111.682 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: 9 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -1080.887475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.887475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.887475 (E_RNA) where: Base-Base interactions energy: -709.719 where: short stacking energy: -299.818 Base-Backbone interact. energy: 5.340 local terms energy: -376.507920 where: bonds (distance) C4'-P energy: -93.778 bonds (distance) P-C4' energy: -78.990 flat angles C4'-P-C4' energy: -82.368 flat angles P-C4'-P energy: -49.257 tors. eta vs tors. theta energy: -72.114 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: 10, replica: 10 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -366.527876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.527876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.527876 (E_RNA) where: Base-Base interactions energy: -113.944 where: short stacking energy: -86.433 Base-Backbone interact. energy: -3.332 local terms energy: -249.251849 where: bonds (distance) C4'-P energy: -68.844 bonds (distance) P-C4' energy: -83.763 flat angles C4'-P-C4' energy: -77.734 flat angles P-C4'-P energy: -35.392 tors. eta vs tors. theta energy: 16.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1854.919331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.919331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.919331 (E_RNA) where: Base-Base interactions energy: -1289.646 where: short stacking energy: -518.556 Base-Backbone interact. energy: -0.348 local terms energy: -564.924621 where: bonds (distance) C4'-P energy: -98.385 bonds (distance) P-C4' energy: -93.564 flat angles C4'-P-C4' energy: -119.143 flat angles P-C4'-P energy: -91.588 tors. eta vs tors. theta energy: -162.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1773.836940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.836940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.836940 (E_RNA) where: Base-Base interactions energy: -1239.177 where: short stacking energy: -505.685 Base-Backbone interact. energy: -1.209 local terms energy: -533.450539 where: bonds (distance) C4'-P energy: -91.725 bonds (distance) P-C4' energy: -102.669 flat angles C4'-P-C4' energy: -111.449 flat angles P-C4'-P energy: -70.549 tors. eta vs tors. theta energy: -157.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1646.135950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.135950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.135950 (E_RNA) where: Base-Base interactions energy: -1151.843 where: short stacking energy: -456.844 Base-Backbone interact. energy: -0.496 local terms energy: -493.797583 where: bonds (distance) C4'-P energy: -83.842 bonds (distance) P-C4' energy: -97.066 flat angles C4'-P-C4' energy: -109.612 flat angles P-C4'-P energy: -65.969 tors. eta vs tors. theta energy: -137.308 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: 4 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1568.843219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.843219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.843219 (E_RNA) where: Base-Base interactions energy: -1088.850 where: short stacking energy: -430.571 Base-Backbone interact. energy: 0.318 local terms energy: -480.311153 where: bonds (distance) C4'-P energy: -96.670 bonds (distance) P-C4' energy: -105.073 flat angles C4'-P-C4' energy: -89.598 flat angles P-C4'-P energy: -72.380 tors. eta vs tors. theta energy: -116.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1481.772907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.772907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.772907 (E_RNA) where: Base-Base interactions energy: -993.161 where: short stacking energy: -398.772 Base-Backbone interact. energy: -1.977 local terms energy: -486.635135 where: bonds (distance) C4'-P energy: -95.639 bonds (distance) P-C4' energy: -89.629 flat angles C4'-P-C4' energy: -102.913 flat angles P-C4'-P energy: -72.433 tors. eta vs tors. theta energy: -126.022 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: 5 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1437.693082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.693082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.693082 (E_RNA) where: Base-Base interactions energy: -971.309 where: short stacking energy: -404.423 Base-Backbone interact. energy: 2.365 local terms energy: -468.749155 where: bonds (distance) C4'-P energy: -96.506 bonds (distance) P-C4' energy: -80.251 flat angles C4'-P-C4' energy: -111.269 flat angles P-C4'-P energy: -58.892 tors. eta vs tors. theta energy: -121.832 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: 1 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1309.370022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.370022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.370022 (E_RNA) where: Base-Base interactions energy: -875.381 where: short stacking energy: -374.932 Base-Backbone interact. energy: 4.625 local terms energy: -438.614134 where: bonds (distance) C4'-P energy: -78.697 bonds (distance) P-C4' energy: -94.380 flat angles C4'-P-C4' energy: -98.302 flat angles P-C4'-P energy: -65.520 tors. eta vs tors. theta energy: -101.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1259.395756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.395756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.395756 (E_RNA) where: Base-Base interactions energy: -859.527 where: short stacking energy: -360.433 Base-Backbone interact. energy: -1.261 local terms energy: -398.608230 where: bonds (distance) C4'-P energy: -76.715 bonds (distance) P-C4' energy: -84.471 flat angles C4'-P-C4' energy: -76.016 flat angles P-C4'-P energy: -59.542 tors. eta vs tors. theta energy: -101.863 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: 9 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -1108.486393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.486393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.486393 (E_RNA) where: Base-Base interactions energy: -711.258 where: short stacking energy: -295.345 Base-Backbone interact. energy: 3.744 local terms energy: -400.972189 where: bonds (distance) C4'-P energy: -92.537 bonds (distance) P-C4' energy: -86.854 flat angles C4'-P-C4' energy: -82.850 flat angles P-C4'-P energy: -57.927 tors. eta vs tors. theta energy: -80.804 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: 10 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -398.784818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.784818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.784818 (E_RNA) where: Base-Base interactions energy: -128.838 where: short stacking energy: -102.935 Base-Backbone interact. energy: 0.386 local terms energy: -270.333004 where: bonds (distance) C4'-P energy: -70.664 bonds (distance) P-C4' energy: -100.031 flat angles C4'-P-C4' energy: -55.549 flat angles P-C4'-P energy: -50.717 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: 1, replica: 3 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1826.978858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.978858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.978858 (E_RNA) where: Base-Base interactions energy: -1278.157 where: short stacking energy: -525.210 Base-Backbone interact. energy: -1.084 local terms energy: -547.738589 where: bonds (distance) C4'-P energy: -93.797 bonds (distance) P-C4' energy: -99.937 flat angles C4'-P-C4' energy: -117.109 flat angles P-C4'-P energy: -80.254 tors. eta vs tors. theta energy: -156.642 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: 8 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1769.398806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.398806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.398806 (E_RNA) where: Base-Base interactions energy: -1223.261 where: short stacking energy: -506.660 Base-Backbone interact. energy: 2.392 local terms energy: -548.530329 where: bonds (distance) C4'-P energy: -96.587 bonds (distance) P-C4' energy: -97.994 flat angles C4'-P-C4' energy: -110.787 flat angles P-C4'-P energy: -82.957 tors. eta vs tors. theta energy: -160.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1674.749328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.749328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.749328 (E_RNA) where: Base-Base interactions energy: -1191.691 where: short stacking energy: -456.834 Base-Backbone interact. energy: -2.646 local terms energy: -480.412511 where: bonds (distance) C4'-P energy: -86.737 bonds (distance) P-C4' energy: -96.805 flat angles C4'-P-C4' energy: -94.331 flat angles P-C4'-P energy: -66.464 tors. eta vs tors. theta energy: -136.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1546.536942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.536942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.536942 (E_RNA) where: Base-Base interactions energy: -1083.263 where: short stacking energy: -422.579 Base-Backbone interact. energy: -2.117 local terms energy: -461.156719 where: bonds (distance) C4'-P energy: -85.529 bonds (distance) P-C4' energy: -98.366 flat angles C4'-P-C4' energy: -101.249 flat angles P-C4'-P energy: -64.006 tors. eta vs tors. theta energy: -112.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1485.349596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.349596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.349596 (E_RNA) where: Base-Base interactions energy: -997.569 where: short stacking energy: -425.238 Base-Backbone interact. energy: -1.365 local terms energy: -486.416190 where: bonds (distance) C4'-P energy: -89.200 bonds (distance) P-C4' energy: -97.775 flat angles C4'-P-C4' energy: -107.666 flat angles P-C4'-P energy: -64.482 tors. eta vs tors. theta energy: -127.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1409.333280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.333280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.333280 (E_RNA) where: Base-Base interactions energy: -977.719 where: short stacking energy: -390.248 Base-Backbone interact. energy: -1.531 local terms energy: -430.082901 where: bonds (distance) C4'-P energy: -75.210 bonds (distance) P-C4' energy: -85.584 flat angles C4'-P-C4' energy: -95.474 flat angles P-C4'-P energy: -61.313 tors. eta vs tors. theta energy: -112.501 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: 1 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1327.779576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.779576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.779576 (E_RNA) where: Base-Base interactions energy: -921.412 where: short stacking energy: -390.945 Base-Backbone interact. energy: 1.167 local terms energy: -407.534148 where: bonds (distance) C4'-P energy: -67.529 bonds (distance) P-C4' energy: -86.689 flat angles C4'-P-C4' energy: -86.979 flat angles P-C4'-P energy: -63.286 tors. eta vs tors. theta energy: -103.051 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: 169 Temperature: 1.250000 Total energy: -1176.713676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.713676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.713676 (E_RNA) where: Base-Base interactions energy: -783.562 where: short stacking energy: -330.069 Base-Backbone interact. energy: 3.017 local terms energy: -396.168671 where: bonds (distance) C4'-P energy: -82.736 bonds (distance) P-C4' energy: -78.197 flat angles C4'-P-C4' energy: -93.028 flat angles P-C4'-P energy: -53.750 tors. eta vs tors. theta energy: -88.457 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: 7 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -1193.635058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.635058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.635058 (E_RNA) where: Base-Base interactions energy: -795.106 where: short stacking energy: -344.561 Base-Backbone interact. energy: 1.013 local terms energy: -399.542005 where: bonds (distance) C4'-P energy: -61.132 bonds (distance) P-C4' energy: -92.744 flat angles C4'-P-C4' energy: -92.757 flat angles P-C4'-P energy: -58.919 tors. eta vs tors. theta energy: -93.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -395.634589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.634589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.634589 (E_RNA) where: Base-Base interactions energy: -149.476 where: short stacking energy: -104.464 Base-Backbone interact. energy: 2.059 local terms energy: -248.217388 where: bonds (distance) C4'-P energy: -80.576 bonds (distance) P-C4' energy: -87.068 flat angles C4'-P-C4' energy: -65.726 flat angles P-C4'-P energy: -32.089 tors. eta vs tors. theta energy: 17.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1841.105520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.105520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.105520 (E_RNA) where: Base-Base interactions energy: -1312.304 where: short stacking energy: -541.238 Base-Backbone interact. energy: -0.521 local terms energy: -528.280386 where: bonds (distance) C4'-P energy: -100.766 bonds (distance) P-C4' energy: -83.964 flat angles C4'-P-C4' energy: -114.336 flat angles P-C4'-P energy: -75.734 tors. eta vs tors. theta energy: -153.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1792.202871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.202871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.202871 (E_RNA) where: Base-Base interactions energy: -1242.340 where: short stacking energy: -506.617 Base-Backbone interact. energy: -1.954 local terms energy: -547.908882 where: bonds (distance) C4'-P energy: -99.529 bonds (distance) P-C4' energy: -104.539 flat angles C4'-P-C4' energy: -102.367 flat angles P-C4'-P energy: -82.758 tors. eta vs tors. theta energy: -158.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1664.595920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.595920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.595920 (E_RNA) where: Base-Base interactions energy: -1180.873 where: short stacking energy: -466.949 Base-Backbone interact. energy: -1.379 local terms energy: -482.344045 where: bonds (distance) C4'-P energy: -86.136 bonds (distance) P-C4' energy: -72.985 flat angles C4'-P-C4' energy: -106.836 flat angles P-C4'-P energy: -68.627 tors. eta vs tors. theta energy: -147.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1582.083882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.083882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.083882 (E_RNA) where: Base-Base interactions energy: -1104.393 where: short stacking energy: -436.541 Base-Backbone interact. energy: -2.696 local terms energy: -474.995428 where: bonds (distance) C4'-P energy: -85.747 bonds (distance) P-C4' energy: -91.217 flat angles C4'-P-C4' energy: -105.699 flat angles P-C4'-P energy: -71.111 tors. eta vs tors. theta energy: -121.222 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: 5, replica: 5 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1473.138282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.138282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.138282 (E_RNA) where: Base-Base interactions energy: -1002.297 where: short stacking energy: -406.108 Base-Backbone interact. energy: 2.830 local terms energy: -473.671518 where: bonds (distance) C4'-P energy: -83.036 bonds (distance) P-C4' energy: -90.705 flat angles C4'-P-C4' energy: -102.414 flat angles P-C4'-P energy: -74.153 tors. eta vs tors. theta energy: -123.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1440.822700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.822700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.822700 (E_RNA) where: Base-Base interactions energy: -982.290 where: short stacking energy: -400.224 Base-Backbone interact. energy: -3.297 local terms energy: -455.235967 where: bonds (distance) C4'-P energy: -88.616 bonds (distance) P-C4' energy: -89.399 flat angles C4'-P-C4' energy: -86.497 flat angles P-C4'-P energy: -70.105 tors. eta vs tors. theta energy: -120.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1365.393801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.393801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.393801 (E_RNA) where: Base-Base interactions energy: -913.717 where: short stacking energy: -389.967 Base-Backbone interact. energy: -0.716 local terms energy: -450.960311 where: bonds (distance) C4'-P energy: -79.613 bonds (distance) P-C4' energy: -104.346 flat angles C4'-P-C4' energy: -98.400 flat angles P-C4'-P energy: -65.732 tors. eta vs tors. theta energy: -102.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1177.266404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.266404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.266404 (E_RNA) where: Base-Base interactions energy: -795.856 where: short stacking energy: -318.387 Base-Backbone interact. energy: 2.011 local terms energy: -383.421381 where: bonds (distance) C4'-P energy: -75.819 bonds (distance) P-C4' energy: -83.615 flat angles C4'-P-C4' energy: -84.916 flat angles P-C4'-P energy: -60.583 tors. eta vs tors. theta energy: -78.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -1138.582695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.582695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.582695 (E_RNA) where: Base-Base interactions energy: -761.016 where: short stacking energy: -317.839 Base-Backbone interact. energy: -1.023 local terms energy: -376.543979 where: bonds (distance) C4'-P energy: -73.870 bonds (distance) P-C4' energy: -79.455 flat angles C4'-P-C4' energy: -72.704 flat angles P-C4'-P energy: -65.090 tors. eta vs tors. theta energy: -85.425 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: 170 Temperature: 1.350000 Total energy: -375.096881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.096881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.096881 (E_RNA) where: Base-Base interactions energy: -114.660 where: short stacking energy: -99.967 Base-Backbone interact. energy: 0.594 local terms energy: -261.030685 where: bonds (distance) C4'-P energy: -79.207 bonds (distance) P-C4' energy: -82.553 flat angles C4'-P-C4' energy: -60.428 flat angles P-C4'-P energy: -48.574 tors. eta vs tors. theta energy: 9.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1830.188762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.188762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.188762 (E_RNA) where: Base-Base interactions energy: -1298.400 where: short stacking energy: -520.763 Base-Backbone interact. energy: 6.311 local terms energy: -538.100286 where: bonds (distance) C4'-P energy: -89.114 bonds (distance) P-C4' energy: -101.464 flat angles C4'-P-C4' energy: -105.841 flat angles P-C4'-P energy: -84.619 tors. eta vs tors. theta energy: -157.062 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: 8 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1771.051682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.051682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.051682 (E_RNA) where: Base-Base interactions energy: -1240.271 where: short stacking energy: -505.125 Base-Backbone interact. energy: -0.647 local terms energy: -530.134043 where: bonds (distance) C4'-P energy: -96.968 bonds (distance) P-C4' energy: -90.756 flat angles C4'-P-C4' energy: -119.889 flat angles P-C4'-P energy: -69.946 tors. eta vs tors. theta energy: -152.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1634.107244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.107244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.107244 (E_RNA) where: Base-Base interactions energy: -1112.563 where: short stacking energy: -448.491 Base-Backbone interact. energy: -2.219 local terms energy: -519.325146 where: bonds (distance) C4'-P energy: -101.777 bonds (distance) P-C4' energy: -95.406 flat angles C4'-P-C4' energy: -113.193 flat angles P-C4'-P energy: -74.672 tors. eta vs tors. theta energy: -134.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1599.551573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.551573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.551573 (E_RNA) where: Base-Base interactions energy: -1140.475 where: short stacking energy: -438.242 Base-Backbone interact. energy: 1.218 local terms energy: -460.294736 where: bonds (distance) C4'-P energy: -97.328 bonds (distance) P-C4' energy: -87.294 flat angles C4'-P-C4' energy: -98.990 flat angles P-C4'-P energy: -59.816 tors. eta vs tors. theta energy: -116.867 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: 5, replica: 5 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1474.894862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.894862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.894862 (E_RNA) where: Base-Base interactions energy: -1001.658 where: short stacking energy: -440.970 Base-Backbone interact. energy: -0.964 local terms energy: -472.273471 where: bonds (distance) C4'-P energy: -93.442 bonds (distance) P-C4' energy: -83.447 flat angles C4'-P-C4' energy: -99.073 flat angles P-C4'-P energy: -62.322 tors. eta vs tors. theta energy: -133.989 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: 6 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1428.409567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.409567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.409567 (E_RNA) where: Base-Base interactions energy: -973.494 where: short stacking energy: -389.137 Base-Backbone interact. energy: 0.072 local terms energy: -454.988291 where: bonds (distance) C4'-P energy: -83.515 bonds (distance) P-C4' energy: -96.783 flat angles C4'-P-C4' energy: -99.461 flat angles P-C4'-P energy: -62.211 tors. eta vs tors. theta energy: -113.018 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: 1 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1350.067327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.067327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.067327 (E_RNA) where: Base-Base interactions energy: -908.800 where: short stacking energy: -376.265 Base-Backbone interact. energy: -0.829 local terms energy: -440.438363 where: bonds (distance) C4'-P energy: -82.680 bonds (distance) P-C4' energy: -91.287 flat angles C4'-P-C4' energy: -95.675 flat angles P-C4'-P energy: -67.888 tors. eta vs tors. theta energy: -102.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1194.127601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.127601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.127601 (E_RNA) where: Base-Base interactions energy: -810.189 where: short stacking energy: -337.441 Base-Backbone interact. energy: -0.601 local terms energy: -383.338275 where: bonds (distance) C4'-P energy: -76.385 bonds (distance) P-C4' energy: -69.205 flat angles C4'-P-C4' energy: -84.329 flat angles P-C4'-P energy: -58.258 tors. eta vs tors. theta energy: -95.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -1083.402402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.402402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.402402 (E_RNA) where: Base-Base interactions energy: -727.552 where: short stacking energy: -310.318 Base-Backbone interact. energy: 1.667 local terms energy: -357.517328 where: bonds (distance) C4'-P energy: -79.695 bonds (distance) P-C4' energy: -78.221 flat angles C4'-P-C4' energy: -67.903 flat angles P-C4'-P energy: -54.174 tors. eta vs tors. theta energy: -77.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -360.258991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.258991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.258991 (E_RNA) where: Base-Base interactions energy: -134.145 where: short stacking energy: -119.348 Base-Backbone interact. energy: 2.509 local terms energy: -228.622948 where: bonds (distance) C4'-P energy: -75.074 bonds (distance) P-C4' energy: -69.471 flat angles C4'-P-C4' energy: -65.669 flat angles P-C4'-P energy: -30.695 tors. eta vs tors. theta energy: 12.286 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: 3 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1846.645042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.645042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.645042 (E_RNA) where: Base-Base interactions energy: -1310.541 where: short stacking energy: -545.978 Base-Backbone interact. energy: -0.506 local terms energy: -535.598477 where: bonds (distance) C4'-P energy: -91.049 bonds (distance) P-C4' energy: -93.519 flat angles C4'-P-C4' energy: -110.487 flat angles P-C4'-P energy: -82.536 tors. eta vs tors. theta energy: -158.007 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: 8 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1794.730026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.730026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.730026 (E_RNA) where: Base-Base interactions energy: -1255.824 where: short stacking energy: -511.209 Base-Backbone interact. energy: -1.996 local terms energy: -536.910204 where: bonds (distance) C4'-P energy: -96.879 bonds (distance) P-C4' energy: -101.027 flat angles C4'-P-C4' energy: -104.255 flat angles P-C4'-P energy: -75.135 tors. eta vs tors. theta energy: -159.615 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: 4 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1640.365872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.365872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.365872 (E_RNA) where: Base-Base interactions energy: -1186.894 where: short stacking energy: -462.339 Base-Backbone interact. energy: 3.580 local terms energy: -457.051369 where: bonds (distance) C4'-P energy: -73.388 bonds (distance) P-C4' energy: -86.829 flat angles C4'-P-C4' energy: -103.437 flat angles P-C4'-P energy: -59.792 tors. eta vs tors. theta energy: -133.607 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: 4, replica: 2 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1618.663334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.663334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.663334 (E_RNA) where: Base-Base interactions energy: -1110.107 where: short stacking energy: -446.771 Base-Backbone interact. energy: -0.191 local terms energy: -508.365522 where: bonds (distance) C4'-P energy: -98.087 bonds (distance) P-C4' energy: -101.607 flat angles C4'-P-C4' energy: -106.437 flat angles P-C4'-P energy: -71.342 tors. eta vs tors. theta energy: -130.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1501.877854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.877854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.877854 (E_RNA) where: Base-Base interactions energy: -1023.788 where: short stacking energy: -423.969 Base-Backbone interact. energy: -0.748 local terms energy: -477.341838 where: bonds (distance) C4'-P energy: -92.509 bonds (distance) P-C4' energy: -82.190 flat angles C4'-P-C4' energy: -103.374 flat angles P-C4'-P energy: -59.727 tors. eta vs tors. theta energy: -139.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1422.322216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.322216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.322216 (E_RNA) where: Base-Base interactions energy: -962.690 where: short stacking energy: -409.689 Base-Backbone interact. energy: -3.235 local terms energy: -456.396823 where: bonds (distance) C4'-P energy: -89.596 bonds (distance) P-C4' energy: -93.539 flat angles C4'-P-C4' energy: -94.494 flat angles P-C4'-P energy: -62.128 tors. eta vs tors. theta energy: -116.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1303.329628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.329628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.329628 (E_RNA) where: Base-Base interactions energy: -876.777 where: short stacking energy: -356.606 Base-Backbone interact. energy: -1.842 local terms energy: -424.710439 where: bonds (distance) C4'-P energy: -90.981 bonds (distance) P-C4' energy: -93.239 flat angles C4'-P-C4' energy: -88.461 flat angles P-C4'-P energy: -62.990 tors. eta vs tors. theta energy: -89.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1184.533590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.533590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.533590 (E_RNA) where: Base-Base interactions energy: -764.506 where: short stacking energy: -311.045 Base-Backbone interact. energy: 0.802 local terms energy: -420.829913 where: bonds (distance) C4'-P energy: -96.202 bonds (distance) P-C4' energy: -93.595 flat angles C4'-P-C4' energy: -94.470 flat angles P-C4'-P energy: -54.284 tors. eta vs tors. theta energy: -82.279 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: 9, replica: 7 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -1069.207126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.207126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.207126 (E_RNA) where: Base-Base interactions energy: -727.058 where: short stacking energy: -295.580 Base-Backbone interact. energy: -1.813 local terms energy: -340.336018 where: bonds (distance) C4'-P energy: -63.328 bonds (distance) P-C4' energy: -73.460 flat angles C4'-P-C4' energy: -85.212 flat angles P-C4'-P energy: -46.572 tors. eta vs tors. theta energy: -71.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -366.633268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.633268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.633268 (E_RNA) where: Base-Base interactions energy: -109.354 where: short stacking energy: -86.062 Base-Backbone interact. energy: -1.939 local terms energy: -255.340077 where: bonds (distance) C4'-P energy: -72.903 bonds (distance) P-C4' energy: -77.919 flat angles C4'-P-C4' energy: -81.874 flat angles P-C4'-P energy: -35.436 tors. eta vs tors. theta energy: 12.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1834.663198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.663198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.663198 (E_RNA) where: Base-Base interactions energy: -1291.064 where: short stacking energy: -519.868 Base-Backbone interact. energy: -1.044 local terms energy: -542.555072 where: bonds (distance) C4'-P energy: -93.080 bonds (distance) P-C4' energy: -106.382 flat angles C4'-P-C4' energy: -109.755 flat angles P-C4'-P energy: -76.548 tors. eta vs tors. theta energy: -156.790 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: 8 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1789.012488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.012488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.012488 (E_RNA) where: Base-Base interactions energy: -1259.943 where: short stacking energy: -525.924 Base-Backbone interact. energy: -0.139 local terms energy: -528.930284 where: bonds (distance) C4'-P energy: -94.745 bonds (distance) P-C4' energy: -89.094 flat angles C4'-P-C4' energy: -103.282 flat angles P-C4'-P energy: -73.616 tors. eta vs tors. theta energy: -168.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1652.074298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.074298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.074298 (E_RNA) where: Base-Base interactions energy: -1149.164 where: short stacking energy: -435.746 Base-Backbone interact. energy: 1.636 local terms energy: -504.546066 where: bonds (distance) C4'-P energy: -88.969 bonds (distance) P-C4' energy: -101.153 flat angles C4'-P-C4' energy: -114.298 flat angles P-C4'-P energy: -73.253 tors. eta vs tors. theta energy: -126.873 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: 4, replica: 2 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1610.258316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.258316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.258316 (E_RNA) where: Base-Base interactions energy: -1143.032 where: short stacking energy: -445.956 Base-Backbone interact. energy: -2.017 local terms energy: -465.210154 where: bonds (distance) C4'-P energy: -80.520 bonds (distance) P-C4' energy: -78.930 flat angles C4'-P-C4' energy: -103.322 flat angles P-C4'-P energy: -69.487 tors. eta vs tors. theta energy: -132.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1521.304172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.304172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.304172 (E_RNA) where: Base-Base interactions energy: -1047.528 where: short stacking energy: -423.056 Base-Backbone interact. energy: -0.734 local terms energy: -473.042677 where: bonds (distance) C4'-P energy: -90.925 bonds (distance) P-C4' energy: -87.304 flat angles C4'-P-C4' energy: -97.760 flat angles P-C4'-P energy: -72.358 tors. eta vs tors. theta energy: -124.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1362.545932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.545932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.545932 (E_RNA) where: Base-Base interactions energy: -923.922 where: short stacking energy: -389.837 Base-Backbone interact. energy: -0.986 local terms energy: -437.637961 where: bonds (distance) C4'-P energy: -85.076 bonds (distance) P-C4' energy: -84.437 flat angles C4'-P-C4' energy: -103.543 flat angles P-C4'-P energy: -49.011 tors. eta vs tors. theta energy: -115.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1318.493999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.493999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.493999 (E_RNA) where: Base-Base interactions energy: -908.646 where: short stacking energy: -381.848 Base-Backbone interact. energy: -0.732 local terms energy: -409.115752 where: bonds (distance) C4'-P energy: -83.135 bonds (distance) P-C4' energy: -74.849 flat angles C4'-P-C4' energy: -92.988 flat angles P-C4'-P energy: -50.960 tors. eta vs tors. theta energy: -107.184 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: 9 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1155.556338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.556338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.556338 (E_RNA) where: Base-Base interactions energy: -769.692 where: short stacking energy: -342.963 Base-Backbone interact. energy: -2.241 local terms energy: -383.623555 where: bonds (distance) C4'-P energy: -79.307 bonds (distance) P-C4' energy: -72.525 flat angles C4'-P-C4' energy: -82.267 flat angles P-C4'-P energy: -62.442 tors. eta vs tors. theta energy: -87.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -1070.511221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.511221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.511221 (E_RNA) where: Base-Base interactions energy: -714.384 where: short stacking energy: -304.153 Base-Backbone interact. energy: -1.850 local terms energy: -354.277862 where: bonds (distance) C4'-P energy: -69.290 bonds (distance) P-C4' energy: -75.096 flat angles C4'-P-C4' energy: -76.244 flat angles P-C4'-P energy: -50.968 tors. eta vs tors. theta energy: -82.680 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: 10 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -383.518995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.518995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.518995 (E_RNA) where: Base-Base interactions energy: -134.965 where: short stacking energy: -104.253 Base-Backbone interact. energy: -0.912 local terms energy: -247.642426 where: bonds (distance) C4'-P energy: -88.316 bonds (distance) P-C4' energy: -91.683 flat angles C4'-P-C4' energy: -42.547 flat angles P-C4'-P energy: -43.827 tors. eta vs tors. theta energy: 18.730 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: 3 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1831.916039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.916039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.916039 (E_RNA) where: Base-Base interactions energy: -1280.558 where: short stacking energy: -530.002 Base-Backbone interact. energy: -1.177 local terms energy: -550.181624 where: bonds (distance) C4'-P energy: -96.668 bonds (distance) P-C4' energy: -101.796 flat angles C4'-P-C4' energy: -116.245 flat angles P-C4'-P energy: -75.955 tors. eta vs tors. theta energy: -159.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1795.914873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.914873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.914873 (E_RNA) where: Base-Base interactions energy: -1248.278 where: short stacking energy: -514.948 Base-Backbone interact. energy: -0.537 local terms energy: -547.100548 where: bonds (distance) C4'-P energy: -98.164 bonds (distance) P-C4' energy: -89.605 flat angles C4'-P-C4' energy: -117.614 flat angles P-C4'-P energy: -77.159 tors. eta vs tors. theta energy: -164.558 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: 2 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1653.285125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.285125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.285125 (E_RNA) where: Base-Base interactions energy: -1156.765 where: short stacking energy: -450.432 Base-Backbone interact. energy: 0.238 local terms energy: -496.757834 where: bonds (distance) C4'-P energy: -93.717 bonds (distance) P-C4' energy: -97.425 flat angles C4'-P-C4' energy: -110.870 flat angles P-C4'-P energy: -57.566 tors. eta vs tors. theta energy: -137.180 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: 4 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1595.158474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.158474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.158474 (E_RNA) where: Base-Base interactions energy: -1133.693 where: short stacking energy: -452.053 Base-Backbone interact. energy: 3.095 local terms energy: -464.560734 where: bonds (distance) C4'-P energy: -89.557 bonds (distance) P-C4' energy: -81.008 flat angles C4'-P-C4' energy: -107.720 flat angles P-C4'-P energy: -64.031 tors. eta vs tors. theta energy: -122.244 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: 5 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1484.814636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.814636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.814636 (E_RNA) where: Base-Base interactions energy: -1045.323 where: short stacking energy: -430.877 Base-Backbone interact. energy: -1.557 local terms energy: -437.934720 where: bonds (distance) C4'-P energy: -78.707 bonds (distance) P-C4' energy: -87.042 flat angles C4'-P-C4' energy: -94.295 flat angles P-C4'-P energy: -54.726 tors. eta vs tors. theta energy: -123.164 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: 6 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1380.582106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.582106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.582106 (E_RNA) where: Base-Base interactions energy: -945.467 where: short stacking energy: -380.283 Base-Backbone interact. energy: 5.149 local terms energy: -440.264722 where: bonds (distance) C4'-P energy: -80.231 bonds (distance) P-C4' energy: -95.151 flat angles C4'-P-C4' energy: -92.710 flat angles P-C4'-P energy: -74.348 tors. eta vs tors. theta energy: -97.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1303.280914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.280914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.280914 (E_RNA) where: Base-Base interactions energy: -880.507 where: short stacking energy: -357.886 Base-Backbone interact. energy: 0.773 local terms energy: -423.547079 where: bonds (distance) C4'-P energy: -85.114 bonds (distance) P-C4' energy: -96.732 flat angles C4'-P-C4' energy: -87.026 flat angles P-C4'-P energy: -68.382 tors. eta vs tors. theta energy: -86.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1196.740793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.740793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.740793 (E_RNA) where: Base-Base interactions energy: -773.775 where: short stacking energy: -344.026 Base-Backbone interact. energy: 1.275 local terms energy: -424.240559 where: bonds (distance) C4'-P energy: -74.670 bonds (distance) P-C4' energy: -93.257 flat angles C4'-P-C4' energy: -95.115 flat angles P-C4'-P energy: -54.763 tors. eta vs tors. theta energy: -106.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -1075.906004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.906004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.906004 (E_RNA) where: Base-Base interactions energy: -699.154 where: short stacking energy: -309.769 Base-Backbone interact. energy: -1.306 local terms energy: -375.445999 where: bonds (distance) C4'-P energy: -71.503 bonds (distance) P-C4' energy: -84.388 flat angles C4'-P-C4' energy: -82.616 flat angles P-C4'-P energy: -52.217 tors. eta vs tors. theta energy: -84.722 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: 10, replica: 10 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -360.635336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.635336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.635336 (E_RNA) where: Base-Base interactions energy: -122.094 where: short stacking energy: -87.863 Base-Backbone interact. energy: -0.732 local terms energy: -237.809737 where: bonds (distance) C4'-P energy: -73.579 bonds (distance) P-C4' energy: -71.935 flat angles C4'-P-C4' energy: -82.400 flat angles P-C4'-P energy: -33.893 tors. eta vs tors. theta energy: 23.997 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: 3 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1844.625675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.625675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.625675 (E_RNA) where: Base-Base interactions energy: -1305.850 where: short stacking energy: -539.101 Base-Backbone interact. energy: 1.743 local terms energy: -540.518033 where: bonds (distance) C4'-P energy: -92.159 bonds (distance) P-C4' energy: -84.993 flat angles C4'-P-C4' energy: -113.998 flat angles P-C4'-P energy: -86.131 tors. eta vs tors. theta energy: -163.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1769.038127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.038127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.038127 (E_RNA) where: Base-Base interactions energy: -1239.454 where: short stacking energy: -498.848 Base-Backbone interact. energy: 1.900 local terms energy: -531.484158 where: bonds (distance) C4'-P energy: -101.347 bonds (distance) P-C4' energy: -86.415 flat angles C4'-P-C4' energy: -116.455 flat angles P-C4'-P energy: -71.029 tors. eta vs tors. theta energy: -156.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1661.421988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.421988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.421988 (E_RNA) where: Base-Base interactions energy: -1167.242 where: short stacking energy: -463.320 Base-Backbone interact. energy: -1.865 local terms energy: -492.315649 where: bonds (distance) C4'-P energy: -97.304 bonds (distance) P-C4' energy: -95.908 flat angles C4'-P-C4' energy: -92.859 flat angles P-C4'-P energy: -69.595 tors. eta vs tors. theta energy: -136.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1593.599548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.599548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.599548 (E_RNA) where: Base-Base interactions energy: -1126.764 where: short stacking energy: -440.512 Base-Backbone interact. energy: 0.321 local terms energy: -467.156807 where: bonds (distance) C4'-P energy: -79.910 bonds (distance) P-C4' energy: -86.864 flat angles C4'-P-C4' energy: -97.503 flat angles P-C4'-P energy: -73.017 tors. eta vs tors. theta energy: -129.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1466.804045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.804045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.804045 (E_RNA) where: Base-Base interactions energy: -988.988 where: short stacking energy: -434.370 Base-Backbone interact. energy: -0.088 local terms energy: -477.727603 where: bonds (distance) C4'-P energy: -80.650 bonds (distance) P-C4' energy: -90.163 flat angles C4'-P-C4' energy: -104.913 flat angles P-C4'-P energy: -67.855 tors. eta vs tors. theta energy: -134.147 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: 6 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1435.949790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.949790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.949790 (E_RNA) where: Base-Base interactions energy: -982.386 where: short stacking energy: -414.818 Base-Backbone interact. energy: -1.785 local terms energy: -451.777992 where: bonds (distance) C4'-P energy: -93.725 bonds (distance) P-C4' energy: -79.002 flat angles C4'-P-C4' energy: -89.264 flat angles P-C4'-P energy: -64.089 tors. eta vs tors. theta energy: -125.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1344.065357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.065357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.065357 (E_RNA) where: Base-Base interactions energy: -901.546 where: short stacking energy: -372.231 Base-Backbone interact. energy: -0.086 local terms energy: -442.432795 where: bonds (distance) C4'-P energy: -76.246 bonds (distance) P-C4' energy: -85.190 flat angles C4'-P-C4' energy: -102.164 flat angles P-C4'-P energy: -65.885 tors. eta vs tors. theta energy: -112.947 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: 175 Temperature: 1.250000 Total energy: -1205.375683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.375683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.375683 (E_RNA) where: Base-Base interactions energy: -803.846 where: short stacking energy: -349.505 Base-Backbone interact. energy: -0.399 local terms energy: -401.130364 where: bonds (distance) C4'-P energy: -79.930 bonds (distance) P-C4' energy: -86.803 flat angles C4'-P-C4' energy: -83.178 flat angles P-C4'-P energy: -57.014 tors. eta vs tors. theta energy: -94.205 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: 9, replica: 7 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -1165.602105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.602105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.602105 (E_RNA) where: Base-Base interactions energy: -782.375 where: short stacking energy: -316.673 Base-Backbone interact. energy: -0.430 local terms energy: -382.797889 where: bonds (distance) C4'-P energy: -59.369 bonds (distance) P-C4' energy: -76.568 flat angles C4'-P-C4' energy: -94.509 flat angles P-C4'-P energy: -60.169 tors. eta vs tors. theta energy: -92.182 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: 10 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -373.133796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.133796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.133796 (E_RNA) where: Base-Base interactions energy: -130.201 where: short stacking energy: -92.815 Base-Backbone interact. energy: -2.502 local terms energy: -240.431258 where: bonds (distance) C4'-P energy: -78.074 bonds (distance) P-C4' energy: -81.003 flat angles C4'-P-C4' energy: -69.502 flat angles P-C4'-P energy: -33.287 tors. eta vs tors. theta energy: 21.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1845.164920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.164920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.164920 (E_RNA) where: Base-Base interactions energy: -1305.041 where: short stacking energy: -549.445 Base-Backbone interact. energy: -0.460 local terms energy: -539.663592 where: bonds (distance) C4'-P energy: -98.120 bonds (distance) P-C4' energy: -90.208 flat angles C4'-P-C4' energy: -112.571 flat angles P-C4'-P energy: -75.917 tors. eta vs tors. theta energy: -162.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1792.243849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.243849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.243849 (E_RNA) where: Base-Base interactions energy: -1248.192 where: short stacking energy: -503.400 Base-Backbone interact. energy: -0.913 local terms energy: -543.139751 where: bonds (distance) C4'-P energy: -95.990 bonds (distance) P-C4' energy: -102.649 flat angles C4'-P-C4' energy: -110.226 flat angles P-C4'-P energy: -77.560 tors. eta vs tors. theta energy: -156.714 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: 2 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1653.269931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.269931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.269931 (E_RNA) where: Base-Base interactions energy: -1162.907 where: short stacking energy: -471.249 Base-Backbone interact. energy: -0.378 local terms energy: -489.983992 where: bonds (distance) C4'-P energy: -93.629 bonds (distance) P-C4' energy: -78.893 flat angles C4'-P-C4' energy: -104.138 flat angles P-C4'-P energy: -71.298 tors. eta vs tors. theta energy: -142.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1615.889080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.889080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.889080 (E_RNA) where: Base-Base interactions energy: -1141.303 where: short stacking energy: -437.375 Base-Backbone interact. energy: -2.206 local terms energy: -472.380713 where: bonds (distance) C4'-P energy: -85.010 bonds (distance) P-C4' energy: -100.715 flat angles C4'-P-C4' energy: -104.557 flat angles P-C4'-P energy: -61.395 tors. eta vs tors. theta energy: -120.703 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: 6 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1421.008660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.008660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.008660 (E_RNA) where: Base-Base interactions energy: -974.206 where: short stacking energy: -396.355 Base-Backbone interact. energy: -1.321 local terms energy: -445.481244 where: bonds (distance) C4'-P energy: -84.762 bonds (distance) P-C4' energy: -88.671 flat angles C4'-P-C4' energy: -94.068 flat angles P-C4'-P energy: -64.595 tors. eta vs tors. theta energy: -113.386 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: 6, replica: 5 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1423.305111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.305111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.305111 (E_RNA) where: Base-Base interactions energy: -967.979 where: short stacking energy: -396.886 Base-Backbone interact. energy: 1.005 local terms energy: -456.331413 where: bonds (distance) C4'-P energy: -90.670 bonds (distance) P-C4' energy: -77.173 flat angles C4'-P-C4' energy: -106.423 flat angles P-C4'-P energy: -69.251 tors. eta vs tors. theta energy: -112.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1327.605380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.605380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.605380 (E_RNA) where: Base-Base interactions energy: -904.250 where: short stacking energy: -377.780 Base-Backbone interact. energy: 0.782 local terms energy: -424.136914 where: bonds (distance) C4'-P energy: -78.191 bonds (distance) P-C4' energy: -81.229 flat angles C4'-P-C4' energy: -88.792 flat angles P-C4'-P energy: -68.217 tors. eta vs tors. theta energy: -107.709 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: 176 Temperature: 1.250000 Total energy: -1209.738590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.738590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.738590 (E_RNA) where: Base-Base interactions energy: -800.740 where: short stacking energy: -325.500 Base-Backbone interact. energy: -0.127 local terms energy: -408.872007 where: bonds (distance) C4'-P energy: -71.573 bonds (distance) P-C4' energy: -95.795 flat angles C4'-P-C4' energy: -91.665 flat angles P-C4'-P energy: -54.748 tors. eta vs tors. theta energy: -95.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -1129.643000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.643000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.643000 (E_RNA) where: Base-Base interactions energy: -749.838 where: short stacking energy: -296.959 Base-Backbone interact. energy: -1.995 local terms energy: -377.809620 where: bonds (distance) C4'-P energy: -71.818 bonds (distance) P-C4' energy: -86.966 flat angles C4'-P-C4' energy: -82.214 flat angles P-C4'-P energy: -66.075 tors. eta vs tors. theta energy: -70.736 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: 10 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -388.687331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.687331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.687331 (E_RNA) where: Base-Base interactions energy: -138.323 where: short stacking energy: -84.021 Base-Backbone interact. energy: -3.215 local terms energy: -247.149197 where: bonds (distance) C4'-P energy: -78.825 bonds (distance) P-C4' energy: -75.840 flat angles C4'-P-C4' energy: -68.131 flat angles P-C4'-P energy: -47.632 tors. eta vs tors. theta energy: 23.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1844.724689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.724689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.724689 (E_RNA) where: Base-Base interactions energy: -1310.464 where: short stacking energy: -547.580 Base-Backbone interact. energy: -0.265 local terms energy: -533.995824 where: bonds (distance) C4'-P energy: -91.954 bonds (distance) P-C4' energy: -87.407 flat angles C4'-P-C4' energy: -112.463 flat angles P-C4'-P energy: -79.487 tors. eta vs tors. theta energy: -162.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1791.647950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.647950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.647950 (E_RNA) where: Base-Base interactions energy: -1262.160 where: short stacking energy: -518.836 Base-Backbone interact. energy: 0.796 local terms energy: -530.284450 where: bonds (distance) C4'-P energy: -104.355 bonds (distance) P-C4' energy: -86.285 flat angles C4'-P-C4' energy: -108.896 flat angles P-C4'-P energy: -75.908 tors. eta vs tors. theta energy: -154.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1709.588401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.588401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.588401 (E_RNA) where: Base-Base interactions energy: -1193.788 where: short stacking energy: -479.949 Base-Backbone interact. energy: -1.032 local terms energy: -514.768662 where: bonds (distance) C4'-P energy: -97.325 bonds (distance) P-C4' energy: -90.765 flat angles C4'-P-C4' energy: -110.346 flat angles P-C4'-P energy: -69.223 tors. eta vs tors. theta energy: -147.109 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: 4 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1595.670970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.670970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.670970 (E_RNA) where: Base-Base interactions energy: -1135.676 where: short stacking energy: -444.372 Base-Backbone interact. energy: 1.064 local terms energy: -461.059050 where: bonds (distance) C4'-P energy: -81.020 bonds (distance) P-C4' energy: -75.400 flat angles C4'-P-C4' energy: -106.672 flat angles P-C4'-P energy: -69.171 tors. eta vs tors. theta energy: -128.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1397.486709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.486709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.486709 (E_RNA) where: Base-Base interactions energy: -959.113 where: short stacking energy: -419.683 Base-Backbone interact. energy: 1.492 local terms energy: -439.865934 where: bonds (distance) C4'-P energy: -80.236 bonds (distance) P-C4' energy: -81.657 flat angles C4'-P-C4' energy: -99.950 flat angles P-C4'-P energy: -57.322 tors. eta vs tors. theta energy: -120.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1435.108800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.108800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.108800 (E_RNA) where: Base-Base interactions energy: -992.305 where: short stacking energy: -410.986 Base-Backbone interact. energy: -0.357 local terms energy: -442.446818 where: bonds (distance) C4'-P energy: -78.813 bonds (distance) P-C4' energy: -77.502 flat angles C4'-P-C4' energy: -93.202 flat angles P-C4'-P energy: -66.700 tors. eta vs tors. theta energy: -126.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1322.824699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.824699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.824699 (E_RNA) where: Base-Base interactions energy: -915.786 where: short stacking energy: -391.243 Base-Backbone interact. energy: 0.543 local terms energy: -407.581330 where: bonds (distance) C4'-P energy: -75.704 bonds (distance) P-C4' energy: -80.545 flat angles C4'-P-C4' energy: -89.822 flat angles P-C4'-P energy: -57.740 tors. eta vs tors. theta energy: -103.770 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: 177 Temperature: 1.250000 Total energy: -1198.173652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.173652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.173652 (E_RNA) where: Base-Base interactions energy: -789.674 where: short stacking energy: -332.227 Base-Backbone interact. energy: -1.770 local terms energy: -406.729104 where: bonds (distance) C4'-P energy: -84.163 bonds (distance) P-C4' energy: -91.524 flat angles C4'-P-C4' energy: -93.601 flat angles P-C4'-P energy: -57.165 tors. eta vs tors. theta energy: -80.276 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: 7 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -1104.663235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.663235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.663235 (E_RNA) where: Base-Base interactions energy: -731.545 where: short stacking energy: -290.944 Base-Backbone interact. energy: -4.933 local terms energy: -368.185629 where: bonds (distance) C4'-P energy: -72.229 bonds (distance) P-C4' energy: -61.473 flat angles C4'-P-C4' energy: -85.990 flat angles P-C4'-P energy: -61.570 tors. eta vs tors. theta energy: -86.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -425.262880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.262880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.262880 (E_RNA) where: Base-Base interactions energy: -158.250 where: short stacking energy: -96.014 Base-Backbone interact. energy: -1.333 local terms energy: -265.679820 where: bonds (distance) C4'-P energy: -68.131 bonds (distance) P-C4' energy: -87.207 flat angles C4'-P-C4' energy: -62.058 flat angles P-C4'-P energy: -60.766 tors. eta vs tors. theta energy: 12.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1820.202439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.202439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.202439 (E_RNA) where: Base-Base interactions energy: -1262.922 where: short stacking energy: -518.706 Base-Backbone interact. energy: -0.497 local terms energy: -556.783798 where: bonds (distance) C4'-P energy: -96.584 bonds (distance) P-C4' energy: -96.174 flat angles C4'-P-C4' energy: -116.679 flat angles P-C4'-P energy: -84.440 tors. eta vs tors. theta energy: -162.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1815.925209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.925209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.925209 (E_RNA) where: Base-Base interactions energy: -1286.202 where: short stacking energy: -531.171 Base-Backbone interact. energy: -2.193 local terms energy: -527.530057 where: bonds (distance) C4'-P energy: -79.699 bonds (distance) P-C4' energy: -98.988 flat angles C4'-P-C4' energy: -101.108 flat angles P-C4'-P energy: -81.617 tors. eta vs tors. theta energy: -166.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1719.283126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.283126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.283126 (E_RNA) where: Base-Base interactions energy: -1210.644 where: short stacking energy: -476.279 Base-Backbone interact. energy: 0.028 local terms energy: -508.666459 where: bonds (distance) C4'-P energy: -84.380 bonds (distance) P-C4' energy: -88.711 flat angles C4'-P-C4' energy: -112.197 flat angles P-C4'-P energy: -69.021 tors. eta vs tors. theta energy: -154.357 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: 4 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1629.843811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.843811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.843811 (E_RNA) where: Base-Base interactions energy: -1141.125 where: short stacking energy: -436.170 Base-Backbone interact. energy: 0.024 local terms energy: -488.742589 where: bonds (distance) C4'-P energy: -82.888 bonds (distance) P-C4' energy: -88.555 flat angles C4'-P-C4' energy: -105.900 flat angles P-C4'-P energy: -73.124 tors. eta vs tors. theta energy: -138.276 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: 5, replica: 5 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1524.305046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.305046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.305046 (E_RNA) where: Base-Base interactions energy: -1055.362 where: short stacking energy: -421.438 Base-Backbone interact. energy: -1.088 local terms energy: -467.854780 where: bonds (distance) C4'-P energy: -90.045 bonds (distance) P-C4' energy: -98.545 flat angles C4'-P-C4' energy: -105.212 flat angles P-C4'-P energy: -53.035 tors. eta vs tors. theta energy: -121.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1381.769368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.769368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.769368 (E_RNA) where: Base-Base interactions energy: -934.828 where: short stacking energy: -387.444 Base-Backbone interact. energy: -0.489 local terms energy: -446.453096 where: bonds (distance) C4'-P energy: -87.254 bonds (distance) P-C4' energy: -81.497 flat angles C4'-P-C4' energy: -106.145 flat angles P-C4'-P energy: -53.384 tors. eta vs tors. theta energy: -118.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1309.257002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.257002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.257002 (E_RNA) where: Base-Base interactions energy: -903.287 where: short stacking energy: -380.809 Base-Backbone interact. energy: -1.073 local terms energy: -404.896933 where: bonds (distance) C4'-P energy: -74.951 bonds (distance) P-C4' energy: -75.771 flat angles C4'-P-C4' energy: -85.927 flat angles P-C4'-P energy: -62.099 tors. eta vs tors. theta energy: -106.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1155.915799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.915799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.915799 (E_RNA) where: Base-Base interactions energy: -784.467 where: short stacking energy: -333.289 Base-Backbone interact. energy: -1.471 local terms energy: -369.978652 where: bonds (distance) C4'-P energy: -69.737 bonds (distance) P-C4' energy: -81.424 flat angles C4'-P-C4' energy: -89.350 flat angles P-C4'-P energy: -43.031 tors. eta vs tors. theta energy: -86.437 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: 7 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -1097.190879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.190879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.190879 (E_RNA) where: Base-Base interactions energy: -737.567 where: short stacking energy: -296.676 Base-Backbone interact. energy: -1.736 local terms energy: -357.887756 where: bonds (distance) C4'-P energy: -75.606 bonds (distance) P-C4' energy: -81.639 flat angles C4'-P-C4' energy: -84.647 flat angles P-C4'-P energy: -46.531 tors. eta vs tors. theta energy: -69.464 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: 10 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -451.950564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.950564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.950564 (E_RNA) where: Base-Base interactions energy: -209.237 where: short stacking energy: -122.342 Base-Backbone interact. energy: -0.926 local terms energy: -241.788099 where: bonds (distance) C4'-P energy: -69.256 bonds (distance) P-C4' energy: -68.190 flat angles C4'-P-C4' energy: -60.182 flat angles P-C4'-P energy: -58.157 tors. eta vs tors. theta energy: 13.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1800.669948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.669948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.669948 (E_RNA) where: Base-Base interactions energy: -1259.593 where: short stacking energy: -515.336 Base-Backbone interact. energy: -0.720 local terms energy: -540.356728 where: bonds (distance) C4'-P energy: -108.345 bonds (distance) P-C4' energy: -94.221 flat angles C4'-P-C4' energy: -101.322 flat angles P-C4'-P energy: -79.906 tors. eta vs tors. theta energy: -156.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1796.990975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.990975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.990975 (E_RNA) where: Base-Base interactions energy: -1271.716 where: short stacking energy: -520.778 Base-Backbone interact. energy: -0.309 local terms energy: -524.965817 where: bonds (distance) C4'-P energy: -94.154 bonds (distance) P-C4' energy: -98.042 flat angles C4'-P-C4' energy: -104.761 flat angles P-C4'-P energy: -69.646 tors. eta vs tors. theta energy: -158.363 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: 3, replica: 2 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1695.697795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.697795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.697795 (E_RNA) where: Base-Base interactions energy: -1196.618 where: short stacking energy: -479.483 Base-Backbone interact. energy: -0.922 local terms energy: -498.157875 where: bonds (distance) C4'-P energy: -89.254 bonds (distance) P-C4' energy: -79.407 flat angles C4'-P-C4' energy: -109.264 flat angles P-C4'-P energy: -73.844 tors. eta vs tors. theta energy: -146.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1604.752891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.752891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.752891 (E_RNA) where: Base-Base interactions energy: -1140.347 where: short stacking energy: -429.535 Base-Backbone interact. energy: 0.630 local terms energy: -465.035860 where: bonds (distance) C4'-P energy: -73.589 bonds (distance) P-C4' energy: -83.101 flat angles C4'-P-C4' energy: -104.373 flat angles P-C4'-P energy: -64.782 tors. eta vs tors. theta energy: -139.191 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: 5 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1519.453102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.453102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.453102 (E_RNA) where: Base-Base interactions energy: -1036.682 where: short stacking energy: -413.914 Base-Backbone interact. energy: -0.896 local terms energy: -481.875369 where: bonds (distance) C4'-P energy: -84.813 bonds (distance) P-C4' energy: -99.103 flat angles C4'-P-C4' energy: -96.865 flat angles P-C4'-P energy: -77.092 tors. eta vs tors. theta energy: -124.002 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: 6, replica: 6 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1377.913534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.913534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.913534 (E_RNA) where: Base-Base interactions energy: -935.194 where: short stacking energy: -397.400 Base-Backbone interact. energy: -0.049 local terms energy: -442.670610 where: bonds (distance) C4'-P energy: -86.997 bonds (distance) P-C4' energy: -79.182 flat angles C4'-P-C4' energy: -100.339 flat angles P-C4'-P energy: -62.305 tors. eta vs tors. theta energy: -113.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1311.818934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.818934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.818934 (E_RNA) where: Base-Base interactions energy: -903.297 where: short stacking energy: -363.894 Base-Backbone interact. energy: -0.899 local terms energy: -407.623109 where: bonds (distance) C4'-P energy: -82.233 bonds (distance) P-C4' energy: -80.983 flat angles C4'-P-C4' energy: -91.347 flat angles P-C4'-P energy: -51.232 tors. eta vs tors. theta energy: -101.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1140.809641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.809641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.809641 (E_RNA) where: Base-Base interactions energy: -761.602 where: short stacking energy: -311.385 Base-Backbone interact. energy: -0.657 local terms energy: -378.551080 where: bonds (distance) C4'-P energy: -69.098 bonds (distance) P-C4' energy: -92.211 flat angles C4'-P-C4' energy: -78.531 flat angles P-C4'-P energy: -58.485 tors. eta vs tors. theta energy: -80.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -1120.170103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.170103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.170103 (E_RNA) where: Base-Base interactions energy: -749.121 where: short stacking energy: -309.570 Base-Backbone interact. energy: -0.629 local terms energy: -370.420587 where: bonds (distance) C4'-P energy: -74.100 bonds (distance) P-C4' energy: -86.227 flat angles C4'-P-C4' energy: -77.830 flat angles P-C4'-P energy: -52.098 tors. eta vs tors. theta energy: -80.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -391.082486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.082486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.082486 (E_RNA) where: Base-Base interactions energy: -140.401 where: short stacking energy: -89.494 Base-Backbone interact. energy: 0.385 local terms energy: -251.066081 where: bonds (distance) C4'-P energy: -91.141 bonds (distance) P-C4' energy: -74.623 flat angles C4'-P-C4' energy: -62.366 flat angles P-C4'-P energy: -48.008 tors. eta vs tors. theta energy: 25.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1818.511494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.511494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.511494 (E_RNA) where: Base-Base interactions energy: -1263.512 where: short stacking energy: -508.949 Base-Backbone interact. energy: 0.731 local terms energy: -555.730836 where: bonds (distance) C4'-P energy: -108.435 bonds (distance) P-C4' energy: -99.714 flat angles C4'-P-C4' energy: -119.354 flat angles P-C4'-P energy: -71.163 tors. eta vs tors. theta energy: -157.066 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: 8 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1773.251822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.251822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.251822 (E_RNA) where: Base-Base interactions energy: -1231.519 where: short stacking energy: -515.368 Base-Backbone interact. energy: -0.498 local terms energy: -541.235127 where: bonds (distance) C4'-P energy: -89.264 bonds (distance) P-C4' energy: -102.122 flat angles C4'-P-C4' energy: -110.690 flat angles P-C4'-P energy: -73.293 tors. eta vs tors. theta energy: -165.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1689.184167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.184167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.184167 (E_RNA) where: Base-Base interactions energy: -1166.881 where: short stacking energy: -469.286 Base-Backbone interact. energy: 0.426 local terms energy: -522.729928 where: bonds (distance) C4'-P energy: -97.295 bonds (distance) P-C4' energy: -102.402 flat angles C4'-P-C4' energy: -106.578 flat angles P-C4'-P energy: -73.921 tors. eta vs tors. theta energy: -142.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1580.157032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.157032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.157032 (E_RNA) where: Base-Base interactions energy: -1120.694 where: short stacking energy: -433.258 Base-Backbone interact. energy: 5.828 local terms energy: -465.291044 where: bonds (distance) C4'-P energy: -84.109 bonds (distance) P-C4' energy: -91.993 flat angles C4'-P-C4' energy: -95.984 flat angles P-C4'-P energy: -77.169 tors. eta vs tors. theta energy: -116.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1462.846345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.846345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.846345 (E_RNA) where: Base-Base interactions energy: -1009.788 where: short stacking energy: -427.886 Base-Backbone interact. energy: 2.027 local terms energy: -455.085377 where: bonds (distance) C4'-P energy: -88.375 bonds (distance) P-C4' energy: -91.211 flat angles C4'-P-C4' energy: -90.759 flat angles P-C4'-P energy: -68.512 tors. eta vs tors. theta energy: -116.228 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: 6 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1361.740602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.740602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.740602 (E_RNA) where: Base-Base interactions energy: -924.781 where: short stacking energy: -389.150 Base-Backbone interact. energy: -0.262 local terms energy: -436.698151 where: bonds (distance) C4'-P energy: -85.223 bonds (distance) P-C4' energy: -88.231 flat angles C4'-P-C4' energy: -93.450 flat angles P-C4'-P energy: -59.126 tors. eta vs tors. theta energy: -110.668 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: 7, replica: 1 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1311.665862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.665862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.665862 (E_RNA) where: Base-Base interactions energy: -884.095 where: short stacking energy: -353.752 Base-Backbone interact. energy: 4.929 local terms energy: -432.499542 where: bonds (distance) C4'-P energy: -71.197 bonds (distance) P-C4' energy: -88.031 flat angles C4'-P-C4' energy: -99.764 flat angles P-C4'-P energy: -68.715 tors. eta vs tors. theta energy: -104.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1131.458377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.458377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.458377 (E_RNA) where: Base-Base interactions energy: -739.620 where: short stacking energy: -329.422 Base-Backbone interact. energy: -0.190 local terms energy: -391.648777 where: bonds (distance) C4'-P energy: -76.981 bonds (distance) P-C4' energy: -92.501 flat angles C4'-P-C4' energy: -79.254 flat angles P-C4'-P energy: -66.329 tors. eta vs tors. theta energy: -76.584 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: 7 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -1011.519584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.519584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.519584 (E_RNA) where: Base-Base interactions energy: -679.650 where: short stacking energy: -309.324 Base-Backbone interact. energy: 8.470 local terms energy: -340.339530 where: bonds (distance) C4'-P energy: -77.837 bonds (distance) P-C4' energy: -82.171 flat angles C4'-P-C4' energy: -76.494 flat angles P-C4'-P energy: -33.952 tors. eta vs tors. theta energy: -69.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -386.247496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.247496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.247496 (E_RNA) where: Base-Base interactions energy: -133.866 where: short stacking energy: -107.719 Base-Backbone interact. energy: 2.255 local terms energy: -254.636964 where: bonds (distance) C4'-P energy: -87.127 bonds (distance) P-C4' energy: -84.594 flat angles C4'-P-C4' energy: -64.534 flat angles P-C4'-P energy: -16.538 tors. eta vs tors. theta energy: -1.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1831.574333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.574333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.574333 (E_RNA) where: Base-Base interactions energy: -1285.568 where: short stacking energy: -519.466 Base-Backbone interact. energy: -0.378 local terms energy: -545.627963 where: bonds (distance) C4'-P energy: -95.424 bonds (distance) P-C4' energy: -100.723 flat angles C4'-P-C4' energy: -119.007 flat angles P-C4'-P energy: -70.082 tors. eta vs tors. theta energy: -160.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1798.532097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.532097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.532097 (E_RNA) where: Base-Base interactions energy: -1251.656 where: short stacking energy: -507.141 Base-Backbone interact. energy: -0.309 local terms energy: -546.567021 where: bonds (distance) C4'-P energy: -89.905 bonds (distance) P-C4' energy: -95.663 flat angles C4'-P-C4' energy: -118.494 flat angles P-C4'-P energy: -80.464 tors. eta vs tors. theta energy: -162.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1688.674696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.674696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.674696 (E_RNA) where: Base-Base interactions energy: -1192.660 where: short stacking energy: -489.154 Base-Backbone interact. energy: -0.603 local terms energy: -495.412008 where: bonds (distance) C4'-P energy: -89.440 bonds (distance) P-C4' energy: -88.563 flat angles C4'-P-C4' energy: -106.798 flat angles P-C4'-P energy: -67.949 tors. eta vs tors. theta energy: -142.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1593.972528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.972528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.972528 (E_RNA) where: Base-Base interactions energy: -1134.177 where: short stacking energy: -445.978 Base-Backbone interact. energy: 0.390 local terms energy: -460.185733 where: bonds (distance) C4'-P energy: -81.126 bonds (distance) P-C4' energy: -85.687 flat angles C4'-P-C4' energy: -104.475 flat angles P-C4'-P energy: -64.856 tors. eta vs tors. theta energy: -124.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1497.975045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.975045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.975045 (E_RNA) where: Base-Base interactions energy: -1009.120 where: short stacking energy: -412.953 Base-Backbone interact. energy: -2.502 local terms energy: -486.353194 where: bonds (distance) C4'-P energy: -83.041 bonds (distance) P-C4' energy: -88.178 flat angles C4'-P-C4' energy: -108.480 flat angles P-C4'-P energy: -80.331 tors. eta vs tors. theta energy: -126.324 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: 1 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1335.482943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.482943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.482943 (E_RNA) where: Base-Base interactions energy: -892.907 where: short stacking energy: -393.298 Base-Backbone interact. energy: 0.234 local terms energy: -442.810589 where: bonds (distance) C4'-P energy: -78.628 bonds (distance) P-C4' energy: -82.675 flat angles C4'-P-C4' energy: -100.461 flat angles P-C4'-P energy: -72.195 tors. eta vs tors. theta energy: -108.851 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: 6 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1340.917293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.917293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.917293 (E_RNA) where: Base-Base interactions energy: -911.364 where: short stacking energy: -371.893 Base-Backbone interact. energy: -1.490 local terms energy: -428.062777 where: bonds (distance) C4'-P energy: -78.798 bonds (distance) P-C4' energy: -80.301 flat angles C4'-P-C4' energy: -95.916 flat angles P-C4'-P energy: -69.701 tors. eta vs tors. theta energy: -103.347 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: 9 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1183.570687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.570687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.570687 (E_RNA) where: Base-Base interactions energy: -777.827 where: short stacking energy: -319.988 Base-Backbone interact. energy: -1.078 local terms energy: -404.665834 where: bonds (distance) C4'-P energy: -88.310 bonds (distance) P-C4' energy: -77.450 flat angles C4'-P-C4' energy: -92.464 flat angles P-C4'-P energy: -68.802 tors. eta vs tors. theta energy: -77.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -1093.443990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.443990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.443990 (E_RNA) where: Base-Base interactions energy: -724.320 where: short stacking energy: -313.607 Base-Backbone interact. energy: 3.215 local terms energy: -372.338523 where: bonds (distance) C4'-P energy: -73.419 bonds (distance) P-C4' energy: -78.326 flat angles C4'-P-C4' energy: -87.113 flat angles P-C4'-P energy: -53.741 tors. eta vs tors. theta energy: -79.739 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: 10, replica: 10 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -397.405416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.405416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.405416 (E_RNA) where: Base-Base interactions energy: -145.739 where: short stacking energy: -117.015 Base-Backbone interact. energy: -0.808 local terms energy: -250.858130 where: bonds (distance) C4'-P energy: -70.499 bonds (distance) P-C4' energy: -73.335 flat angles C4'-P-C4' energy: -70.511 flat angles P-C4'-P energy: -38.616 tors. eta vs tors. theta energy: 2.103 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: 3 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1834.818581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.818581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.818581 (E_RNA) where: Base-Base interactions energy: -1299.183 where: short stacking energy: -515.850 Base-Backbone interact. energy: 1.039 local terms energy: -536.674649 where: bonds (distance) C4'-P energy: -101.390 bonds (distance) P-C4' energy: -95.718 flat angles C4'-P-C4' energy: -105.107 flat angles P-C4'-P energy: -77.111 tors. eta vs tors. theta energy: -157.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1791.211808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.211808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.211808 (E_RNA) where: Base-Base interactions energy: -1262.395 where: short stacking energy: -503.731 Base-Backbone interact. energy: -0.586 local terms energy: -528.230958 where: bonds (distance) C4'-P energy: -90.090 bonds (distance) P-C4' energy: -90.945 flat angles C4'-P-C4' energy: -110.557 flat angles P-C4'-P energy: -80.280 tors. eta vs tors. theta energy: -156.359 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: 182 Temperature: 1.000000 Total energy: -1696.013404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.013404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.013404 (E_RNA) where: Base-Base interactions energy: -1180.043 where: short stacking energy: -464.355 Base-Backbone interact. energy: -1.790 local terms energy: -514.180384 where: bonds (distance) C4'-P energy: -89.281 bonds (distance) P-C4' energy: -89.482 flat angles C4'-P-C4' energy: -116.579 flat angles P-C4'-P energy: -79.044 tors. eta vs tors. theta energy: -139.794 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: 4 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1614.177187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.177187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.177187 (E_RNA) where: Base-Base interactions energy: -1125.650 where: short stacking energy: -442.644 Base-Backbone interact. energy: 3.642 local terms energy: -492.169564 where: bonds (distance) C4'-P energy: -79.881 bonds (distance) P-C4' energy: -96.473 flat angles C4'-P-C4' energy: -118.526 flat angles P-C4'-P energy: -68.989 tors. eta vs tors. theta energy: -128.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1486.636915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.636915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.636915 (E_RNA) where: Base-Base interactions energy: -1031.698 where: short stacking energy: -435.928 Base-Backbone interact. energy: 0.580 local terms energy: -455.518546 where: bonds (distance) C4'-P energy: -94.528 bonds (distance) P-C4' energy: -89.079 flat angles C4'-P-C4' energy: -92.859 flat angles P-C4'-P energy: -59.858 tors. eta vs tors. theta energy: -119.195 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: 1 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1333.215099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.215099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.215099 (E_RNA) where: Base-Base interactions energy: -902.720 where: short stacking energy: -376.198 Base-Backbone interact. energy: 0.609 local terms energy: -431.104321 where: bonds (distance) C4'-P energy: -71.969 bonds (distance) P-C4' energy: -97.306 flat angles C4'-P-C4' energy: -92.794 flat angles P-C4'-P energy: -67.609 tors. eta vs tors. theta energy: -101.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1361.755440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.755440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.755440 (E_RNA) where: Base-Base interactions energy: -944.633 where: short stacking energy: -391.725 Base-Backbone interact. energy: -0.818 local terms energy: -416.304573 where: bonds (distance) C4'-P energy: -67.319 bonds (distance) P-C4' energy: -84.619 flat angles C4'-P-C4' energy: -92.235 flat angles P-C4'-P energy: -59.548 tors. eta vs tors. theta energy: -112.583 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: 9 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1156.912511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.912511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.912511 (E_RNA) where: Base-Base interactions energy: -750.685 where: short stacking energy: -316.597 Base-Backbone interact. energy: -0.557 local terms energy: -405.670094 where: bonds (distance) C4'-P energy: -81.669 bonds (distance) P-C4' energy: -83.466 flat angles C4'-P-C4' energy: -92.394 flat angles P-C4'-P energy: -65.456 tors. eta vs tors. theta energy: -82.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -1151.923464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.923464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.923464 (E_RNA) where: Base-Base interactions energy: -776.279 where: short stacking energy: -320.502 Base-Backbone interact. energy: -2.468 local terms energy: -373.176382 where: bonds (distance) C4'-P energy: -68.383 bonds (distance) P-C4' energy: -84.620 flat angles C4'-P-C4' energy: -80.443 flat angles P-C4'-P energy: -50.460 tors. eta vs tors. theta energy: -89.270 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: 10 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -372.725087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.725087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.725087 (E_RNA) where: Base-Base interactions energy: -121.830 where: short stacking energy: -95.666 Base-Backbone interact. energy: -2.061 local terms energy: -248.833928 where: bonds (distance) C4'-P energy: -68.937 bonds (distance) P-C4' energy: -81.556 flat angles C4'-P-C4' energy: -66.577 flat angles P-C4'-P energy: -45.295 tors. eta vs tors. theta energy: 13.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1843.225105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.225105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.225105 (E_RNA) where: Base-Base interactions energy: -1302.608 where: short stacking energy: -528.620 Base-Backbone interact. energy: -0.978 local terms energy: -539.638855 where: bonds (distance) C4'-P energy: -89.424 bonds (distance) P-C4' energy: -93.724 flat angles C4'-P-C4' energy: -113.188 flat angles P-C4'-P energy: -84.628 tors. eta vs tors. theta energy: -158.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1795.898255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.898255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.898255 (E_RNA) where: Base-Base interactions energy: -1260.426 where: short stacking energy: -512.774 Base-Backbone interact. energy: -3.242 local terms energy: -532.230571 where: bonds (distance) C4'-P energy: -93.607 bonds (distance) P-C4' energy: -91.086 flat angles C4'-P-C4' energy: -113.193 flat angles P-C4'-P energy: -70.665 tors. eta vs tors. theta energy: -163.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1670.729812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.729812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.729812 (E_RNA) where: Base-Base interactions energy: -1157.730 where: short stacking energy: -461.734 Base-Backbone interact. energy: -3.406 local terms energy: -509.593914 where: bonds (distance) C4'-P energy: -80.361 bonds (distance) P-C4' energy: -95.387 flat angles C4'-P-C4' energy: -110.564 flat angles P-C4'-P energy: -77.879 tors. eta vs tors. theta energy: -145.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1602.054761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.054761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.054761 (E_RNA) where: Base-Base interactions energy: -1116.105 where: short stacking energy: -432.525 Base-Backbone interact. energy: -2.516 local terms energy: -483.433616 where: bonds (distance) C4'-P energy: -87.631 bonds (distance) P-C4' energy: -86.828 flat angles C4'-P-C4' energy: -109.980 flat angles P-C4'-P energy: -71.962 tors. eta vs tors. theta energy: -127.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1483.630856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.630856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.630856 (E_RNA) where: Base-Base interactions energy: -1025.952 where: short stacking energy: -414.109 Base-Backbone interact. energy: -1.279 local terms energy: -456.399906 where: bonds (distance) C4'-P energy: -92.761 bonds (distance) P-C4' energy: -85.261 flat angles C4'-P-C4' energy: -91.164 flat angles P-C4'-P energy: -69.765 tors. eta vs tors. theta energy: -117.449 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: 6, replica: 6 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1391.027208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.027208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.027208 (E_RNA) where: Base-Base interactions energy: -954.634 where: short stacking energy: -411.578 Base-Backbone interact. energy: -1.865 local terms energy: -434.528362 where: bonds (distance) C4'-P energy: -71.587 bonds (distance) P-C4' energy: -89.309 flat angles C4'-P-C4' energy: -97.774 flat angles P-C4'-P energy: -59.165 tors. eta vs tors. theta energy: -116.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1310.672141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.672141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.672141 (E_RNA) where: Base-Base interactions energy: -883.779 where: short stacking energy: -381.369 Base-Backbone interact. energy: -2.824 local terms energy: -424.068985 where: bonds (distance) C4'-P energy: -74.047 bonds (distance) P-C4' energy: -91.929 flat angles C4'-P-C4' energy: -91.654 flat angles P-C4'-P energy: -58.778 tors. eta vs tors. theta energy: -107.660 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: 7 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1255.052794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.052794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.052794 (E_RNA) where: Base-Base interactions energy: -849.761 where: short stacking energy: -369.008 Base-Backbone interact. energy: -0.053 local terms energy: -405.238766 where: bonds (distance) C4'-P energy: -71.293 bonds (distance) P-C4' energy: -77.598 flat angles C4'-P-C4' energy: -100.836 flat angles P-C4'-P energy: -48.702 tors. eta vs tors. theta energy: -106.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -1106.040041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.040041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.040041 (E_RNA) where: Base-Base interactions energy: -738.362 where: short stacking energy: -330.571 Base-Backbone interact. energy: -0.092 local terms energy: -367.586549 where: bonds (distance) C4'-P energy: -75.809 bonds (distance) P-C4' energy: -81.265 flat angles C4'-P-C4' energy: -74.656 flat angles P-C4'-P energy: -51.746 tors. eta vs tors. theta energy: -84.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -396.113944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.113944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.113944 (E_RNA) where: Base-Base interactions energy: -119.457 where: short stacking energy: -110.069 Base-Backbone interact. energy: -0.719 local terms energy: -275.937778 where: bonds (distance) C4'-P energy: -89.040 bonds (distance) P-C4' energy: -84.950 flat angles C4'-P-C4' energy: -55.526 flat angles P-C4'-P energy: -45.346 tors. eta vs tors. theta energy: -1.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1849.582309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.582309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.582309 (E_RNA) where: Base-Base interactions energy: -1297.803 where: short stacking energy: -524.147 Base-Backbone interact. energy: -0.750 local terms energy: -551.028517 where: bonds (distance) C4'-P energy: -99.232 bonds (distance) P-C4' energy: -103.003 flat angles C4'-P-C4' energy: -110.263 flat angles P-C4'-P energy: -78.127 tors. eta vs tors. theta energy: -160.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1788.720887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.720887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.720887 (E_RNA) where: Base-Base interactions energy: -1255.707 where: short stacking energy: -505.825 Base-Backbone interact. energy: -1.146 local terms energy: -531.867953 where: bonds (distance) C4'-P energy: -86.464 bonds (distance) P-C4' energy: -95.148 flat angles C4'-P-C4' energy: -119.156 flat angles P-C4'-P energy: -76.612 tors. eta vs tors. theta energy: -154.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1705.567126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.567126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.567126 (E_RNA) where: Base-Base interactions energy: -1184.691 where: short stacking energy: -465.211 Base-Backbone interact. energy: -0.984 local terms energy: -519.892050 where: bonds (distance) C4'-P energy: -97.564 bonds (distance) P-C4' energy: -103.900 flat angles C4'-P-C4' energy: -103.320 flat angles P-C4'-P energy: -70.815 tors. eta vs tors. theta energy: -144.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1546.616794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.616794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.616794 (E_RNA) where: Base-Base interactions energy: -1077.292 where: short stacking energy: -425.200 Base-Backbone interact. energy: -1.548 local terms energy: -467.776898 where: bonds (distance) C4'-P energy: -84.097 bonds (distance) P-C4' energy: -90.254 flat angles C4'-P-C4' energy: -106.658 flat angles P-C4'-P energy: -65.703 tors. eta vs tors. theta energy: -121.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1482.124903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.124903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.124903 (E_RNA) where: Base-Base interactions energy: -1027.928 where: short stacking energy: -446.898 Base-Backbone interact. energy: -1.543 local terms energy: -452.654759 where: bonds (distance) C4'-P energy: -68.409 bonds (distance) P-C4' energy: -89.118 flat angles C4'-P-C4' energy: -99.077 flat angles P-C4'-P energy: -61.409 tors. eta vs tors. theta energy: -134.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1434.203493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.203493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.203493 (E_RNA) where: Base-Base interactions energy: -1006.333 where: short stacking energy: -401.280 Base-Backbone interact. energy: -0.931 local terms energy: -426.939102 where: bonds (distance) C4'-P energy: -83.088 bonds (distance) P-C4' energy: -79.419 flat angles C4'-P-C4' energy: -86.946 flat angles P-C4'-P energy: -58.157 tors. eta vs tors. theta energy: -119.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1271.931486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.931486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.931486 (E_RNA) where: Base-Base interactions energy: -851.616 where: short stacking energy: -356.993 Base-Backbone interact. energy: 1.325 local terms energy: -421.640394 where: bonds (distance) C4'-P energy: -75.500 bonds (distance) P-C4' energy: -95.580 flat angles C4'-P-C4' energy: -90.504 flat angles P-C4'-P energy: -68.650 tors. eta vs tors. theta energy: -91.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1260.398835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.398835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.398835 (E_RNA) where: Base-Base interactions energy: -867.949 where: short stacking energy: -367.312 Base-Backbone interact. energy: -2.472 local terms energy: -389.977576 where: bonds (distance) C4'-P energy: -71.996 bonds (distance) P-C4' energy: -70.735 flat angles C4'-P-C4' energy: -90.780 flat angles P-C4'-P energy: -60.275 tors. eta vs tors. theta energy: -96.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -1173.747744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.747744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.747744 (E_RNA) where: Base-Base interactions energy: -779.079 where: short stacking energy: -338.059 Base-Backbone interact. energy: 0.619 local terms energy: -395.286987 where: bonds (distance) C4'-P energy: -67.322 bonds (distance) P-C4' energy: -90.021 flat angles C4'-P-C4' energy: -95.638 flat angles P-C4'-P energy: -66.519 tors. eta vs tors. theta energy: -75.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -373.291236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.291236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.291236 (E_RNA) where: Base-Base interactions energy: -119.524 where: short stacking energy: -95.057 Base-Backbone interact. energy: 1.761 local terms energy: -255.527791 where: bonds (distance) C4'-P energy: -75.608 bonds (distance) P-C4' energy: -78.562 flat angles C4'-P-C4' energy: -71.304 flat angles P-C4'-P energy: -44.484 tors. eta vs tors. theta energy: 14.429 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: 3 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1834.644115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.644115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.644115 (E_RNA) where: Base-Base interactions energy: -1293.385 where: short stacking energy: -518.072 Base-Backbone interact. energy: 0.335 local terms energy: -541.593554 where: bonds (distance) C4'-P energy: -97.680 bonds (distance) P-C4' energy: -94.042 flat angles C4'-P-C4' energy: -107.574 flat angles P-C4'-P energy: -81.714 tors. eta vs tors. theta energy: -160.583 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: 8 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1768.067258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.067258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.067258 (E_RNA) where: Base-Base interactions energy: -1250.217 where: short stacking energy: -492.922 Base-Backbone interact. energy: -1.360 local terms energy: -516.490827 where: bonds (distance) C4'-P energy: -78.386 bonds (distance) P-C4' energy: -99.281 flat angles C4'-P-C4' energy: -105.727 flat angles P-C4'-P energy: -83.899 tors. eta vs tors. theta energy: -149.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1713.040453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.040453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.040453 (E_RNA) where: Base-Base interactions energy: -1210.061 where: short stacking energy: -465.701 Base-Backbone interact. energy: -2.336 local terms energy: -500.642850 where: bonds (distance) C4'-P energy: -74.592 bonds (distance) P-C4' energy: -92.184 flat angles C4'-P-C4' energy: -112.634 flat angles P-C4'-P energy: -77.045 tors. eta vs tors. theta energy: -144.188 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: 4 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1557.177201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.177201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.177201 (E_RNA) where: Base-Base interactions energy: -1102.314 where: short stacking energy: -446.162 Base-Backbone interact. energy: -0.669 local terms energy: -454.193522 where: bonds (distance) C4'-P energy: -79.141 bonds (distance) P-C4' energy: -93.218 flat angles C4'-P-C4' energy: -95.487 flat angles P-C4'-P energy: -67.414 tors. eta vs tors. theta energy: -118.933 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: 6 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1479.480469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.480469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.480469 (E_RNA) where: Base-Base interactions energy: -1006.688 where: short stacking energy: -421.049 Base-Backbone interact. energy: -1.211 local terms energy: -471.582040 where: bonds (distance) C4'-P energy: -84.457 bonds (distance) P-C4' energy: -92.686 flat angles C4'-P-C4' energy: -96.716 flat angles P-C4'-P energy: -67.961 tors. eta vs tors. theta energy: -129.762 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: 6, replica: 5 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1454.029914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.029914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.029914 (E_RNA) where: Base-Base interactions energy: -1002.054 where: short stacking energy: -409.324 Base-Backbone interact. energy: -0.205 local terms energy: -451.770654 where: bonds (distance) C4'-P energy: -71.282 bonds (distance) P-C4' energy: -78.657 flat angles C4'-P-C4' energy: -101.421 flat angles P-C4'-P energy: -74.605 tors. eta vs tors. theta energy: -125.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1286.905580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.905580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.905580 (E_RNA) where: Base-Base interactions energy: -859.552 where: short stacking energy: -374.660 Base-Backbone interact. energy: 2.008 local terms energy: -429.361261 where: bonds (distance) C4'-P energy: -91.575 bonds (distance) P-C4' energy: -85.092 flat angles C4'-P-C4' energy: -97.358 flat angles P-C4'-P energy: -51.143 tors. eta vs tors. theta energy: -104.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1271.490023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.490023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.490023 (E_RNA) where: Base-Base interactions energy: -851.192 where: short stacking energy: -372.707 Base-Backbone interact. energy: 0.179 local terms energy: -420.476791 where: bonds (distance) C4'-P energy: -86.162 bonds (distance) P-C4' energy: -87.895 flat angles C4'-P-C4' energy: -89.981 flat angles P-C4'-P energy: -55.985 tors. eta vs tors. theta energy: -100.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -1169.465472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.465472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.465472 (E_RNA) where: Base-Base interactions energy: -794.782 where: short stacking energy: -324.604 Base-Backbone interact. energy: -0.875 local terms energy: -373.807947 where: bonds (distance) C4'-P energy: -79.301 bonds (distance) P-C4' energy: -63.616 flat angles C4'-P-C4' energy: -91.732 flat angles P-C4'-P energy: -51.024 tors. eta vs tors. theta energy: -88.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -385.806143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.806143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.806143 (E_RNA) where: Base-Base interactions energy: -108.786 where: short stacking energy: -93.435 Base-Backbone interact. energy: -1.799 local terms energy: -275.220931 where: bonds (distance) C4'-P energy: -86.526 bonds (distance) P-C4' energy: -76.152 flat angles C4'-P-C4' energy: -65.537 flat angles P-C4'-P energy: -50.114 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: 1, replica: 3 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1839.544051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.544051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.544051 (E_RNA) where: Base-Base interactions energy: -1302.282 where: short stacking energy: -531.069 Base-Backbone interact. energy: 0.749 local terms energy: -538.011760 where: bonds (distance) C4'-P energy: -102.709 bonds (distance) P-C4' energy: -86.753 flat angles C4'-P-C4' energy: -105.984 flat angles P-C4'-P energy: -81.569 tors. eta vs tors. theta energy: -160.996 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: 8 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1777.890201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.890201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.890201 (E_RNA) where: Base-Base interactions energy: -1249.455 where: short stacking energy: -506.478 Base-Backbone interact. energy: -0.647 local terms energy: -527.788186 where: bonds (distance) C4'-P energy: -87.768 bonds (distance) P-C4' energy: -85.138 flat angles C4'-P-C4' energy: -110.640 flat angles P-C4'-P energy: -84.047 tors. eta vs tors. theta energy: -160.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1708.388215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.388215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.388215 (E_RNA) where: Base-Base interactions energy: -1220.551 where: short stacking energy: -450.380 Base-Backbone interact. energy: -1.824 local terms energy: -486.013110 where: bonds (distance) C4'-P energy: -83.850 bonds (distance) P-C4' energy: -100.693 flat angles C4'-P-C4' energy: -101.228 flat angles P-C4'-P energy: -65.871 tors. eta vs tors. theta energy: -134.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1557.377241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.377241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.377241 (E_RNA) where: Base-Base interactions energy: -1061.369 where: short stacking energy: -421.941 Base-Backbone interact. energy: -1.864 local terms energy: -494.144952 where: bonds (distance) C4'-P energy: -93.243 bonds (distance) P-C4' energy: -100.088 flat angles C4'-P-C4' energy: -108.868 flat angles P-C4'-P energy: -74.756 tors. eta vs tors. theta energy: -117.190 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: 5, replica: 5 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1533.287435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.287435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.287435 (E_RNA) where: Base-Base interactions energy: -1047.472 where: short stacking energy: -427.300 Base-Backbone interact. energy: -0.915 local terms energy: -484.899987 where: bonds (distance) C4'-P energy: -102.072 bonds (distance) P-C4' energy: -87.745 flat angles C4'-P-C4' energy: -98.780 flat angles P-C4'-P energy: -63.427 tors. eta vs tors. theta energy: -132.875 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: 6, replica: 6 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1434.212848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.212848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.212848 (E_RNA) where: Base-Base interactions energy: -989.979 where: short stacking energy: -403.635 Base-Backbone interact. energy: -0.763 local terms energy: -443.471203 where: bonds (distance) C4'-P energy: -74.007 bonds (distance) P-C4' energy: -86.329 flat angles C4'-P-C4' energy: -103.434 flat angles P-C4'-P energy: -69.033 tors. eta vs tors. theta energy: -110.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1290.340336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.340336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.340336 (E_RNA) where: Base-Base interactions energy: -870.078 where: short stacking energy: -367.985 Base-Backbone interact. energy: 0.085 local terms energy: -420.347363 where: bonds (distance) C4'-P energy: -84.714 bonds (distance) P-C4' energy: -71.929 flat angles C4'-P-C4' energy: -96.558 flat angles P-C4'-P energy: -57.105 tors. eta vs tors. theta energy: -110.042 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: 1 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1249.933325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.933325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.933325 (E_RNA) where: Base-Base interactions energy: -866.508 where: short stacking energy: -361.701 Base-Backbone interact. energy: -0.147 local terms energy: -383.277611 where: bonds (distance) C4'-P energy: -87.769 bonds (distance) P-C4' energy: -72.625 flat angles C4'-P-C4' energy: -80.076 flat angles P-C4'-P energy: -56.008 tors. eta vs tors. theta energy: -86.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -1168.259717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.259717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.259717 (E_RNA) where: Base-Base interactions energy: -786.274 where: short stacking energy: -345.957 Base-Backbone interact. energy: 1.318 local terms energy: -383.302982 where: bonds (distance) C4'-P energy: -83.629 bonds (distance) P-C4' energy: -76.372 flat angles C4'-P-C4' energy: -84.275 flat angles P-C4'-P energy: -44.301 tors. eta vs tors. theta energy: -94.726 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: 10, replica: 10 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -371.364178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.364178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.364178 (E_RNA) where: Base-Base interactions energy: -127.220 where: short stacking energy: -105.321 Base-Backbone interact. energy: 0.446 local terms energy: -244.589213 where: bonds (distance) C4'-P energy: -70.375 bonds (distance) P-C4' energy: -80.402 flat angles C4'-P-C4' energy: -67.216 flat angles P-C4'-P energy: -39.740 tors. eta vs tors. theta energy: 13.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1851.357892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.357892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.357892 (E_RNA) where: Base-Base interactions energy: -1284.146 where: short stacking energy: -519.666 Base-Backbone interact. energy: -0.368 local terms energy: -566.843766 where: bonds (distance) C4'-P energy: -97.809 bonds (distance) P-C4' energy: -93.932 flat angles C4'-P-C4' energy: -123.853 flat angles P-C4'-P energy: -82.626 tors. eta vs tors. theta energy: -168.624 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: 2, replica: 2 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1736.342789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.342789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.342789 (E_RNA) where: Base-Base interactions energy: -1219.082 where: short stacking energy: -476.731 Base-Backbone interact. energy: -1.454 local terms energy: -515.807200 where: bonds (distance) C4'-P energy: -94.003 bonds (distance) P-C4' energy: -91.636 flat angles C4'-P-C4' energy: -114.155 flat angles P-C4'-P energy: -77.069 tors. eta vs tors. theta energy: -138.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1721.064142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.064142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.064142 (E_RNA) where: Base-Base interactions energy: -1208.252 where: short stacking energy: -495.726 Base-Backbone interact. energy: 1.950 local terms energy: -514.761475 where: bonds (distance) C4'-P energy: -93.205 bonds (distance) P-C4' energy: -93.600 flat angles C4'-P-C4' energy: -104.751 flat angles P-C4'-P energy: -67.156 tors. eta vs tors. theta energy: -156.049 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: 187 Temperature: 1.050000 Total energy: -1543.250502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.250502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.250502 (E_RNA) where: Base-Base interactions energy: -1077.988 where: short stacking energy: -428.544 Base-Backbone interact. energy: -1.744 local terms energy: -463.517763 where: bonds (distance) C4'-P energy: -90.355 bonds (distance) P-C4' energy: -91.397 flat angles C4'-P-C4' energy: -95.613 flat angles P-C4'-P energy: -69.611 tors. eta vs tors. theta energy: -116.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1533.336818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.336818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.336818 (E_RNA) where: Base-Base interactions energy: -1064.310 where: short stacking energy: -448.992 Base-Backbone interact. energy: -0.405 local terms energy: -468.621880 where: bonds (distance) C4'-P energy: -84.454 bonds (distance) P-C4' energy: -85.521 flat angles C4'-P-C4' energy: -104.053 flat angles P-C4'-P energy: -61.781 tors. eta vs tors. theta energy: -132.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1446.866243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.866243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.866243 (E_RNA) where: Base-Base interactions energy: -982.838 where: short stacking energy: -427.895 Base-Backbone interact. energy: -1.391 local terms energy: -462.637983 where: bonds (distance) C4'-P energy: -80.638 bonds (distance) P-C4' energy: -86.029 flat angles C4'-P-C4' energy: -100.023 flat angles P-C4'-P energy: -72.784 tors. eta vs tors. theta energy: -123.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1284.967258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.967258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.967258 (E_RNA) where: Base-Base interactions energy: -862.802 where: short stacking energy: -358.727 Base-Backbone interact. energy: -0.107 local terms energy: -422.058191 where: bonds (distance) C4'-P energy: -78.948 bonds (distance) P-C4' energy: -81.493 flat angles C4'-P-C4' energy: -97.568 flat angles P-C4'-P energy: -61.676 tors. eta vs tors. theta energy: -102.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1246.341010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.341010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.341010 (E_RNA) where: Base-Base interactions energy: -854.439 where: short stacking energy: -364.806 Base-Backbone interact. energy: -0.580 local terms energy: -391.322496 where: bonds (distance) C4'-P energy: -81.011 bonds (distance) P-C4' energy: -79.307 flat angles C4'-P-C4' energy: -86.230 flat angles P-C4'-P energy: -42.242 tors. eta vs tors. theta energy: -102.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -1185.810914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.810914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.810914 (E_RNA) where: Base-Base interactions energy: -797.918 where: short stacking energy: -347.699 Base-Backbone interact. energy: 0.467 local terms energy: -388.359914 where: bonds (distance) C4'-P energy: -61.720 bonds (distance) P-C4' energy: -82.032 flat angles C4'-P-C4' energy: -87.240 flat angles P-C4'-P energy: -64.362 tors. eta vs tors. theta energy: -93.005 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: 10 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -394.420849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.420849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.420849 (E_RNA) where: Base-Base interactions energy: -135.656 where: short stacking energy: -100.829 Base-Backbone interact. energy: 0.635 local terms energy: -259.399957 where: bonds (distance) C4'-P energy: -73.208 bonds (distance) P-C4' energy: -68.621 flat angles C4'-P-C4' energy: -87.621 flat angles P-C4'-P energy: -49.998 tors. eta vs tors. theta energy: 20.048 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: 3 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1826.628637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.628637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.628637 (E_RNA) where: Base-Base interactions energy: -1289.441 where: short stacking energy: -536.435 Base-Backbone interact. energy: 1.432 local terms energy: -538.619289 where: bonds (distance) C4'-P energy: -94.619 bonds (distance) P-C4' energy: -101.173 flat angles C4'-P-C4' energy: -108.406 flat angles P-C4'-P energy: -73.915 tors. eta vs tors. theta energy: -160.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1762.759732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.759732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.759732 (E_RNA) where: Base-Base interactions energy: -1225.097 where: short stacking energy: -473.032 Base-Backbone interact. energy: -1.639 local terms energy: -536.023303 where: bonds (distance) C4'-P energy: -85.867 bonds (distance) P-C4' energy: -103.183 flat angles C4'-P-C4' energy: -113.399 flat angles P-C4'-P energy: -89.367 tors. eta vs tors. theta energy: -144.207 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: 8 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1725.589857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.589857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.589857 (E_RNA) where: Base-Base interactions energy: -1216.295 where: short stacking energy: -487.142 Base-Backbone interact. energy: -0.280 local terms energy: -509.014661 where: bonds (distance) C4'-P energy: -86.977 bonds (distance) P-C4' energy: -84.488 flat angles C4'-P-C4' energy: -114.091 flat angles P-C4'-P energy: -67.208 tors. eta vs tors. theta energy: -156.251 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: 4 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1574.810459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.810459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.810459 (E_RNA) where: Base-Base interactions energy: -1119.253 where: short stacking energy: -450.013 Base-Backbone interact. energy: 2.271 local terms energy: -457.828712 where: bonds (distance) C4'-P energy: -80.774 bonds (distance) P-C4' energy: -77.594 flat angles C4'-P-C4' energy: -105.138 flat angles P-C4'-P energy: -60.113 tors. eta vs tors. theta energy: -134.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1546.746485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.746485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.746485 (E_RNA) where: Base-Base interactions energy: -1069.497 where: short stacking energy: -428.088 Base-Backbone interact. energy: -1.645 local terms energy: -475.604887 where: bonds (distance) C4'-P energy: -87.201 bonds (distance) P-C4' energy: -93.270 flat angles C4'-P-C4' energy: -89.992 flat angles P-C4'-P energy: -75.446 tors. eta vs tors. theta energy: -129.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1446.819163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.819163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.819163 (E_RNA) where: Base-Base interactions energy: -979.393 where: short stacking energy: -399.852 Base-Backbone interact. energy: -0.697 local terms energy: -466.730020 where: bonds (distance) C4'-P energy: -84.060 bonds (distance) P-C4' energy: -91.862 flat angles C4'-P-C4' energy: -105.551 flat angles P-C4'-P energy: -63.363 tors. eta vs tors. theta energy: -121.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1293.822524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.822524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.822524 (E_RNA) where: Base-Base interactions energy: -877.645 where: short stacking energy: -369.176 Base-Backbone interact. energy: -1.367 local terms energy: -414.810771 where: bonds (distance) C4'-P energy: -74.666 bonds (distance) P-C4' energy: -77.062 flat angles C4'-P-C4' energy: -89.389 flat angles P-C4'-P energy: -62.924 tors. eta vs tors. theta energy: -110.770 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: 1 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1299.358276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.358276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.358276 (E_RNA) where: Base-Base interactions energy: -891.494 where: short stacking energy: -369.883 Base-Backbone interact. energy: 3.395 local terms energy: -411.259375 where: bonds (distance) C4'-P energy: -79.807 bonds (distance) P-C4' energy: -83.579 flat angles C4'-P-C4' energy: -87.425 flat angles P-C4'-P energy: -53.386 tors. eta vs tors. theta energy: -107.063 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: 9, replica: 9 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -1140.188908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.188908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.188908 (E_RNA) where: Base-Base interactions energy: -777.310 where: short stacking energy: -315.678 Base-Backbone interact. energy: 1.553 local terms energy: -364.431900 where: bonds (distance) C4'-P energy: -69.528 bonds (distance) P-C4' energy: -74.141 flat angles C4'-P-C4' energy: -87.403 flat angles P-C4'-P energy: -44.003 tors. eta vs tors. theta energy: -89.356 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: 10 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -388.774191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.774191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.774191 (E_RNA) where: Base-Base interactions energy: -140.246 where: short stacking energy: -111.484 Base-Backbone interact. energy: 4.616 local terms energy: -253.144270 where: bonds (distance) C4'-P energy: -74.612 bonds (distance) P-C4' energy: -83.568 flat angles C4'-P-C4' energy: -77.467 flat angles P-C4'-P energy: -42.225 tors. eta vs tors. theta energy: 24.728 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: 3 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1837.677542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.677542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.677542 (E_RNA) where: Base-Base interactions energy: -1299.959 where: short stacking energy: -523.388 Base-Backbone interact. energy: -1.292 local terms energy: -536.426629 where: bonds (distance) C4'-P energy: -105.533 bonds (distance) P-C4' energy: -82.300 flat angles C4'-P-C4' energy: -115.308 flat angles P-C4'-P energy: -70.942 tors. eta vs tors. theta energy: -162.343 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: 8 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1768.692563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.692563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.692563 (E_RNA) where: Base-Base interactions energy: -1228.393 where: short stacking energy: -506.030 Base-Backbone interact. energy: 0.764 local terms energy: -541.063109 where: bonds (distance) C4'-P energy: -95.373 bonds (distance) P-C4' energy: -106.776 flat angles C4'-P-C4' energy: -104.382 flat angles P-C4'-P energy: -84.824 tors. eta vs tors. theta energy: -149.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1718.330991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.330991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.330991 (E_RNA) where: Base-Base interactions energy: -1199.528 where: short stacking energy: -460.991 Base-Backbone interact. energy: -0.929 local terms energy: -517.874061 where: bonds (distance) C4'-P energy: -91.433 bonds (distance) P-C4' energy: -109.142 flat angles C4'-P-C4' energy: -107.356 flat angles P-C4'-P energy: -76.895 tors. eta vs tors. theta energy: -133.048 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: 4 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1583.575587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.575587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.575587 (E_RNA) where: Base-Base interactions energy: -1104.420 where: short stacking energy: -446.484 Base-Backbone interact. energy: -0.945 local terms energy: -478.210704 where: bonds (distance) C4'-P energy: -85.912 bonds (distance) P-C4' energy: -88.394 flat angles C4'-P-C4' energy: -96.665 flat angles P-C4'-P energy: -75.344 tors. eta vs tors. theta energy: -131.895 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: 189 Temperature: 1.100000 Total energy: -1544.461394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.461394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.461394 (E_RNA) where: Base-Base interactions energy: -1070.939 where: short stacking energy: -441.937 Base-Backbone interact. energy: 2.962 local terms energy: -476.485088 where: bonds (distance) C4'-P energy: -81.398 bonds (distance) P-C4' energy: -84.122 flat angles C4'-P-C4' energy: -101.494 flat angles P-C4'-P energy: -71.482 tors. eta vs tors. theta energy: -137.988 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: 6 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1456.177056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.177056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.177056 (E_RNA) where: Base-Base interactions energy: -1017.671 where: short stacking energy: -415.240 Base-Backbone interact. energy: -1.170 local terms energy: -437.335696 where: bonds (distance) C4'-P energy: -66.761 bonds (distance) P-C4' energy: -98.137 flat angles C4'-P-C4' energy: -88.628 flat angles P-C4'-P energy: -60.877 tors. eta vs tors. theta energy: -122.934 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: 7 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1317.307945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.307945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.307945 (E_RNA) where: Base-Base interactions energy: -883.896 where: short stacking energy: -381.953 Base-Backbone interact. energy: 0.466 local terms energy: -433.877490 where: bonds (distance) C4'-P energy: -83.637 bonds (distance) P-C4' energy: -91.105 flat angles C4'-P-C4' energy: -93.677 flat angles P-C4'-P energy: -67.633 tors. eta vs tors. theta energy: -97.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1280.936257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.936257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.936257 (E_RNA) where: Base-Base interactions energy: -886.675 where: short stacking energy: -352.418 Base-Backbone interact. energy: -0.825 local terms energy: -393.436143 where: bonds (distance) C4'-P energy: -64.530 bonds (distance) P-C4' energy: -83.166 flat angles C4'-P-C4' energy: -87.454 flat angles P-C4'-P energy: -58.940 tors. eta vs tors. theta energy: -99.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -1157.393848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.393848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.393848 (E_RNA) where: Base-Base interactions energy: -777.330 where: short stacking energy: -346.463 Base-Backbone interact. energy: -1.074 local terms energy: -378.990786 where: bonds (distance) C4'-P energy: -76.385 bonds (distance) P-C4' energy: -87.248 flat angles C4'-P-C4' energy: -79.554 flat angles P-C4'-P energy: -54.435 tors. eta vs tors. theta energy: -81.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -346.973097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -346.973097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -346.973097 (E_RNA) where: Base-Base interactions energy: -123.278 where: short stacking energy: -93.721 Base-Backbone interact. energy: -1.811 local terms energy: -221.884548 where: bonds (distance) C4'-P energy: -76.650 bonds (distance) P-C4' energy: -70.969 flat angles C4'-P-C4' energy: -69.004 flat angles P-C4'-P energy: -33.121 tors. eta vs tors. theta energy: 27.859 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: 3 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1819.490241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.490241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.490241 (E_RNA) where: Base-Base interactions energy: -1291.233 where: short stacking energy: -510.058 Base-Backbone interact. energy: -1.335 local terms energy: -526.921636 where: bonds (distance) C4'-P energy: -91.218 bonds (distance) P-C4' energy: -94.269 flat angles C4'-P-C4' energy: -108.278 flat angles P-C4'-P energy: -74.377 tors. eta vs tors. theta energy: -158.780 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: 8 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1758.287867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.287867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.287867 (E_RNA) where: Base-Base interactions energy: -1243.823 where: short stacking energy: -495.153 Base-Backbone interact. energy: -0.763 local terms energy: -513.701726 where: bonds (distance) C4'-P energy: -91.563 bonds (distance) P-C4' energy: -95.680 flat angles C4'-P-C4' energy: -100.738 flat angles P-C4'-P energy: -72.899 tors. eta vs tors. theta energy: -152.822 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: 2 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1686.456325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.456325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.456325 (E_RNA) where: Base-Base interactions energy: -1209.891 where: short stacking energy: -463.792 Base-Backbone interact. energy: 1.172 local terms energy: -477.737357 where: bonds (distance) C4'-P energy: -89.601 bonds (distance) P-C4' energy: -92.629 flat angles C4'-P-C4' energy: -100.183 flat angles P-C4'-P energy: -65.922 tors. eta vs tors. theta energy: -129.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1567.179911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.179911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.179911 (E_RNA) where: Base-Base interactions energy: -1103.655 where: short stacking energy: -437.973 Base-Backbone interact. energy: -3.511 local terms energy: -460.014301 where: bonds (distance) C4'-P energy: -86.731 bonds (distance) P-C4' energy: -86.866 flat angles C4'-P-C4' energy: -94.571 flat angles P-C4'-P energy: -68.672 tors. eta vs tors. theta energy: -123.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1549.101485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.101485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.101485 (E_RNA) where: Base-Base interactions energy: -1064.904 where: short stacking energy: -436.899 Base-Backbone interact. energy: -0.929 local terms energy: -483.268530 where: bonds (distance) C4'-P energy: -77.383 bonds (distance) P-C4' energy: -94.042 flat angles C4'-P-C4' energy: -99.219 flat angles P-C4'-P energy: -71.975 tors. eta vs tors. theta energy: -140.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1444.846196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.846196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.846196 (E_RNA) where: Base-Base interactions energy: -1010.472 where: short stacking energy: -433.006 Base-Backbone interact. energy: -1.291 local terms energy: -433.083035 where: bonds (distance) C4'-P energy: -64.694 bonds (distance) P-C4' energy: -75.562 flat angles C4'-P-C4' energy: -108.004 flat angles P-C4'-P energy: -61.279 tors. eta vs tors. theta energy: -123.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1338.346718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.346718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.346718 (E_RNA) where: Base-Base interactions energy: -907.049 where: short stacking energy: -405.127 Base-Backbone interact. energy: -1.480 local terms energy: -429.817269 where: bonds (distance) C4'-P energy: -63.855 bonds (distance) P-C4' energy: -92.195 flat angles C4'-P-C4' energy: -87.758 flat angles P-C4'-P energy: -66.594 tors. eta vs tors. theta energy: -119.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1233.532353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.532353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.532353 (E_RNA) where: Base-Base interactions energy: -835.729 where: short stacking energy: -351.780 Base-Backbone interact. energy: 0.714 local terms energy: -398.518165 where: bonds (distance) C4'-P energy: -87.939 bonds (distance) P-C4' energy: -92.736 flat angles C4'-P-C4' energy: -85.328 flat angles P-C4'-P energy: -48.141 tors. eta vs tors. theta energy: -84.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -1081.299550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.299550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.299550 (E_RNA) where: Base-Base interactions energy: -726.572 where: short stacking energy: -309.974 Base-Backbone interact. energy: -0.915 local terms energy: -353.812079 where: bonds (distance) C4'-P energy: -70.270 bonds (distance) P-C4' energy: -69.683 flat angles C4'-P-C4' energy: -82.273 flat angles P-C4'-P energy: -49.600 tors. eta vs tors. theta energy: -81.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -361.848019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.848019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.848019 (E_RNA) where: Base-Base interactions energy: -112.152 where: short stacking energy: -103.317 Base-Backbone interact. energy: -3.526 local terms energy: -246.170530 where: bonds (distance) C4'-P energy: -80.879 bonds (distance) P-C4' energy: -87.059 flat angles C4'-P-C4' energy: -65.430 flat angles P-C4'-P energy: -34.277 tors. eta vs tors. theta energy: 21.475 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: 1, replica: 3 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1858.807143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.807143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.807143 (E_RNA) where: Base-Base interactions energy: -1292.380 where: short stacking energy: -525.437 Base-Backbone interact. energy: -0.557 local terms energy: -565.869996 where: bonds (distance) C4'-P energy: -98.233 bonds (distance) P-C4' energy: -103.729 flat angles C4'-P-C4' energy: -118.057 flat angles P-C4'-P energy: -86.762 tors. eta vs tors. theta energy: -159.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1773.328468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.328468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.328468 (E_RNA) where: Base-Base interactions energy: -1261.745 where: short stacking energy: -505.570 Base-Backbone interact. energy: -0.843 local terms energy: -510.740304 where: bonds (distance) C4'-P energy: -93.224 bonds (distance) P-C4' energy: -85.768 flat angles C4'-P-C4' energy: -103.477 flat angles P-C4'-P energy: -70.112 tors. eta vs tors. theta energy: -158.160 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: 191 Temperature: 1.000000 Total energy: -1673.078535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.078535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.078535 (E_RNA) where: Base-Base interactions energy: -1196.596 where: short stacking energy: -455.356 Base-Backbone interact. energy: -2.020 local terms energy: -474.462427 where: bonds (distance) C4'-P energy: -84.719 bonds (distance) P-C4' energy: -89.189 flat angles C4'-P-C4' energy: -92.740 flat angles P-C4'-P energy: -67.710 tors. eta vs tors. theta energy: -140.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1548.735515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.735515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.735515 (E_RNA) where: Base-Base interactions energy: -1082.209 where: short stacking energy: -421.670 Base-Backbone interact. energy: -0.831 local terms energy: -465.695752 where: bonds (distance) C4'-P energy: -83.095 bonds (distance) P-C4' energy: -91.747 flat angles C4'-P-C4' energy: -95.331 flat angles P-C4'-P energy: -74.311 tors. eta vs tors. theta energy: -121.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1564.022645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.022645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.022645 (E_RNA) where: Base-Base interactions energy: -1086.152 where: short stacking energy: -446.605 Base-Backbone interact. energy: -0.019 local terms energy: -477.852218 where: bonds (distance) C4'-P energy: -86.166 bonds (distance) P-C4' energy: -80.420 flat angles C4'-P-C4' energy: -97.702 flat angles P-C4'-P energy: -74.139 tors. eta vs tors. theta energy: -139.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1419.168209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.168209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.168209 (E_RNA) where: Base-Base interactions energy: -978.610 where: short stacking energy: -414.363 Base-Backbone interact. energy: -0.514 local terms energy: -440.044812 where: bonds (distance) C4'-P energy: -82.760 bonds (distance) P-C4' energy: -86.078 flat angles C4'-P-C4' energy: -95.013 flat angles P-C4'-P energy: -62.200 tors. eta vs tors. theta energy: -113.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1346.934920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.934920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.934920 (E_RNA) where: Base-Base interactions energy: -910.234 where: short stacking energy: -385.117 Base-Backbone interact. energy: -1.100 local terms energy: -435.600486 where: bonds (distance) C4'-P energy: -80.390 bonds (distance) P-C4' energy: -79.787 flat angles C4'-P-C4' energy: -89.366 flat angles P-C4'-P energy: -65.199 tors. eta vs tors. theta energy: -120.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1270.961010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.961010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.961010 (E_RNA) where: Base-Base interactions energy: -840.753 where: short stacking energy: -348.593 Base-Backbone interact. energy: 0.309 local terms energy: -430.516869 where: bonds (distance) C4'-P energy: -76.098 bonds (distance) P-C4' energy: -85.090 flat angles C4'-P-C4' energy: -105.484 flat angles P-C4'-P energy: -64.160 tors. eta vs tors. theta energy: -99.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -1139.570457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.570457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.570457 (E_RNA) where: Base-Base interactions energy: -749.204 where: short stacking energy: -312.605 Base-Backbone interact. energy: 0.465 local terms energy: -390.831439 where: bonds (distance) C4'-P energy: -68.642 bonds (distance) P-C4' energy: -83.279 flat angles C4'-P-C4' energy: -84.971 flat angles P-C4'-P energy: -67.354 tors. eta vs tors. theta energy: -86.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -384.127046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.127046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.127046 (E_RNA) where: Base-Base interactions energy: -142.860 where: short stacking energy: -90.978 Base-Backbone interact. energy: 2.171 local terms energy: -243.438033 where: bonds (distance) C4'-P energy: -80.259 bonds (distance) P-C4' energy: -91.340 flat angles C4'-P-C4' energy: -60.937 flat angles P-C4'-P energy: -31.215 tors. eta vs tors. theta energy: 20.314 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: 3 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1831.836190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.836190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.836190 (E_RNA) where: Base-Base interactions energy: -1288.251 where: short stacking energy: -523.171 Base-Backbone interact. energy: -0.961 local terms energy: -542.624010 where: bonds (distance) C4'-P energy: -97.294 bonds (distance) P-C4' energy: -94.732 flat angles C4'-P-C4' energy: -109.539 flat angles P-C4'-P energy: -76.569 tors. eta vs tors. theta energy: -164.490 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: 8 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1789.878606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.878606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.878606 (E_RNA) where: Base-Base interactions energy: -1248.893 where: short stacking energy: -510.475 Base-Backbone interact. energy: 0.247 local terms energy: -541.233332 where: bonds (distance) C4'-P energy: -101.098 bonds (distance) P-C4' energy: -96.390 flat angles C4'-P-C4' energy: -110.374 flat angles P-C4'-P energy: -76.015 tors. eta vs tors. theta energy: -157.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1691.240338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.240338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.240338 (E_RNA) where: Base-Base interactions energy: -1215.654 where: short stacking energy: -480.373 Base-Backbone interact. energy: -1.684 local terms energy: -473.902499 where: bonds (distance) C4'-P energy: -71.399 bonds (distance) P-C4' energy: -88.880 flat angles C4'-P-C4' energy: -99.665 flat angles P-C4'-P energy: -74.454 tors. eta vs tors. theta energy: -139.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1584.732781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.732781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.732781 (E_RNA) where: Base-Base interactions energy: -1110.303 where: short stacking energy: -430.440 Base-Backbone interact. energy: 1.448 local terms energy: -475.877958 where: bonds (distance) C4'-P energy: -83.858 bonds (distance) P-C4' energy: -97.545 flat angles C4'-P-C4' energy: -103.655 flat angles P-C4'-P energy: -67.558 tors. eta vs tors. theta energy: -123.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1509.577085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.577085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.577085 (E_RNA) where: Base-Base interactions energy: -1035.217 where: short stacking energy: -419.806 Base-Backbone interact. energy: 3.657 local terms energy: -478.016967 where: bonds (distance) C4'-P energy: -82.107 bonds (distance) P-C4' energy: -87.179 flat angles C4'-P-C4' energy: -110.683 flat angles P-C4'-P energy: -63.681 tors. eta vs tors. theta energy: -134.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1462.151300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.151300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.151300 (E_RNA) where: Base-Base interactions energy: -1013.694 where: short stacking energy: -406.513 Base-Backbone interact. energy: -0.606 local terms energy: -447.851929 where: bonds (distance) C4'-P energy: -75.091 bonds (distance) P-C4' energy: -92.732 flat angles C4'-P-C4' energy: -94.884 flat angles P-C4'-P energy: -63.218 tors. eta vs tors. theta energy: -121.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1271.891515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.891515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.891515 (E_RNA) where: Base-Base interactions energy: -860.316 where: short stacking energy: -354.382 Base-Backbone interact. energy: 0.311 local terms energy: -411.886625 where: bonds (distance) C4'-P energy: -82.884 bonds (distance) P-C4' energy: -84.427 flat angles C4'-P-C4' energy: -98.251 flat angles P-C4'-P energy: -56.258 tors. eta vs tors. theta energy: -90.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1268.448155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.448155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.448155 (E_RNA) where: Base-Base interactions energy: -856.038 where: short stacking energy: -355.247 Base-Backbone interact. energy: -0.585 local terms energy: -411.825559 where: bonds (distance) C4'-P energy: -80.531 bonds (distance) P-C4' energy: -91.536 flat angles C4'-P-C4' energy: -92.380 flat angles P-C4'-P energy: -48.457 tors. eta vs tors. theta energy: -98.922 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: 192 Temperature: 1.300000 Total energy: -1098.233693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.233693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.233693 (E_RNA) where: Base-Base interactions energy: -746.503 where: short stacking energy: -321.921 Base-Backbone interact. energy: 0.391 local terms energy: -352.121123 where: bonds (distance) C4'-P energy: -60.329 bonds (distance) P-C4' energy: -69.836 flat angles C4'-P-C4' energy: -88.673 flat angles P-C4'-P energy: -49.917 tors. eta vs tors. theta energy: -83.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -402.864705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.864705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.864705 (E_RNA) where: Base-Base interactions energy: -152.835 where: short stacking energy: -109.883 Base-Backbone interact. energy: 0.407 local terms energy: -250.437139 where: bonds (distance) C4'-P energy: -81.757 bonds (distance) P-C4' energy: -67.052 flat angles C4'-P-C4' energy: -71.101 flat angles P-C4'-P energy: -41.935 tors. eta vs tors. theta energy: 11.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1844.562352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.562352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.562352 (E_RNA) where: Base-Base interactions energy: -1293.758 where: short stacking energy: -536.000 Base-Backbone interact. energy: -1.768 local terms energy: -549.036404 where: bonds (distance) C4'-P energy: -105.557 bonds (distance) P-C4' energy: -97.484 flat angles C4'-P-C4' energy: -112.741 flat angles P-C4'-P energy: -68.053 tors. eta vs tors. theta energy: -165.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1769.498777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.498777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.498777 (E_RNA) where: Base-Base interactions energy: -1242.055 where: short stacking energy: -510.853 Base-Backbone interact. energy: -2.080 local terms energy: -525.363631 where: bonds (distance) C4'-P energy: -95.246 bonds (distance) P-C4' energy: -89.002 flat angles C4'-P-C4' energy: -102.376 flat angles P-C4'-P energy: -77.538 tors. eta vs tors. theta energy: -161.202 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: 2 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1707.098754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.098754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.098754 (E_RNA) where: Base-Base interactions energy: -1205.876 where: short stacking energy: -458.955 Base-Backbone interact. energy: -1.617 local terms energy: -499.605573 where: bonds (distance) C4'-P energy: -97.269 bonds (distance) P-C4' energy: -88.356 flat angles C4'-P-C4' energy: -100.654 flat angles P-C4'-P energy: -68.085 tors. eta vs tors. theta energy: -145.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1603.138239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.138239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.138239 (E_RNA) where: Base-Base interactions energy: -1125.312 where: short stacking energy: -439.261 Base-Backbone interact. energy: 3.336 local terms energy: -481.161736 where: bonds (distance) C4'-P energy: -88.938 bonds (distance) P-C4' energy: -94.639 flat angles C4'-P-C4' energy: -109.704 flat angles P-C4'-P energy: -64.221 tors. eta vs tors. theta energy: -123.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1522.462816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.462816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.462816 (E_RNA) where: Base-Base interactions energy: -1039.172 where: short stacking energy: -442.619 Base-Backbone interact. energy: -1.214 local terms energy: -482.076386 where: bonds (distance) C4'-P energy: -82.074 bonds (distance) P-C4' energy: -87.658 flat angles C4'-P-C4' energy: -106.362 flat angles P-C4'-P energy: -60.054 tors. eta vs tors. theta energy: -145.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1491.125588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.125588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.125588 (E_RNA) where: Base-Base interactions energy: -1002.124 where: short stacking energy: -419.173 Base-Backbone interact. energy: 2.866 local terms energy: -491.866847 where: bonds (distance) C4'-P energy: -92.771 bonds (distance) P-C4' energy: -95.007 flat angles C4'-P-C4' energy: -106.648 flat angles P-C4'-P energy: -65.908 tors. eta vs tors. theta energy: -131.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1283.834228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.834228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.834228 (E_RNA) where: Base-Base interactions energy: -864.131 where: short stacking energy: -367.956 Base-Backbone interact. energy: -0.429 local terms energy: -419.274765 where: bonds (distance) C4'-P energy: -85.005 bonds (distance) P-C4' energy: -70.457 flat angles C4'-P-C4' energy: -92.167 flat angles P-C4'-P energy: -67.926 tors. eta vs tors. theta energy: -103.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1297.371146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.371146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.371146 (E_RNA) where: Base-Base interactions energy: -879.638 where: short stacking energy: -359.645 Base-Backbone interact. energy: -1.880 local terms energy: -415.853165 where: bonds (distance) C4'-P energy: -75.119 bonds (distance) P-C4' energy: -83.654 flat angles C4'-P-C4' energy: -91.086 flat angles P-C4'-P energy: -60.441 tors. eta vs tors. theta energy: -105.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -1073.693808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.693808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.693808 (E_RNA) where: Base-Base interactions energy: -703.180 where: short stacking energy: -305.104 Base-Backbone interact. energy: -0.344 local terms energy: -370.170041 where: bonds (distance) C4'-P energy: -84.915 bonds (distance) P-C4' energy: -88.810 flat angles C4'-P-C4' energy: -89.133 flat angles P-C4'-P energy: -37.661 tors. eta vs tors. theta energy: -69.651 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: 10 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -375.530688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.530688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.530688 (E_RNA) where: Base-Base interactions energy: -112.472 where: short stacking energy: -92.525 Base-Backbone interact. energy: -2.566 local terms energy: -260.492685 where: bonds (distance) C4'-P energy: -82.006 bonds (distance) P-C4' energy: -82.500 flat angles C4'-P-C4' energy: -63.745 flat angles P-C4'-P energy: -35.161 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: 1, replica: 3 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1858.882178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.882178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.882178 (E_RNA) where: Base-Base interactions energy: -1290.805 where: short stacking energy: -520.071 Base-Backbone interact. energy: -1.664 local terms energy: -566.413976 where: bonds (distance) C4'-P energy: -98.938 bonds (distance) P-C4' energy: -93.405 flat angles C4'-P-C4' energy: -115.304 flat angles P-C4'-P energy: -89.935 tors. eta vs tors. theta energy: -168.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1771.682210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.682210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.682210 (E_RNA) where: Base-Base interactions energy: -1235.576 where: short stacking energy: -499.803 Base-Backbone interact. energy: -1.723 local terms energy: -534.383382 where: bonds (distance) C4'-P energy: -101.707 bonds (distance) P-C4' energy: -87.128 flat angles C4'-P-C4' energy: -118.515 flat angles P-C4'-P energy: -74.571 tors. eta vs tors. theta energy: -152.464 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: 2 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1731.025073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.025073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.025073 (E_RNA) where: Base-Base interactions energy: -1206.515 where: short stacking energy: -472.723 Base-Backbone interact. energy: -1.787 local terms energy: -522.723490 where: bonds (distance) C4'-P energy: -92.792 bonds (distance) P-C4' energy: -105.313 flat angles C4'-P-C4' energy: -104.247 flat angles P-C4'-P energy: -74.442 tors. eta vs tors. theta energy: -145.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1574.124910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.124910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.124910 (E_RNA) where: Base-Base interactions energy: -1112.992 where: short stacking energy: -432.756 Base-Backbone interact. energy: -1.531 local terms energy: -459.601355 where: bonds (distance) C4'-P energy: -72.044 bonds (distance) P-C4' energy: -83.581 flat angles C4'-P-C4' energy: -115.597 flat angles P-C4'-P energy: -61.161 tors. eta vs tors. theta energy: -127.218 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: 5 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1544.152426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.152426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.152426 (E_RNA) where: Base-Base interactions energy: -1063.421 where: short stacking energy: -440.293 Base-Backbone interact. energy: -0.868 local terms energy: -479.863958 where: bonds (distance) C4'-P energy: -85.230 bonds (distance) P-C4' energy: -80.340 flat angles C4'-P-C4' energy: -111.830 flat angles P-C4'-P energy: -70.719 tors. eta vs tors. theta energy: -131.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1430.782458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.782458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.782458 (E_RNA) where: Base-Base interactions energy: -972.946 where: short stacking energy: -396.695 Base-Backbone interact. energy: 4.005 local terms energy: -461.841194 where: bonds (distance) C4'-P energy: -62.726 bonds (distance) P-C4' energy: -94.086 flat angles C4'-P-C4' energy: -101.514 flat angles P-C4'-P energy: -71.722 tors. eta vs tors. theta energy: -131.793 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: 7 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1333.224019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.224019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.224019 (E_RNA) where: Base-Base interactions energy: -903.565 where: short stacking energy: -365.687 Base-Backbone interact. energy: 0.812 local terms energy: -430.471118 where: bonds (distance) C4'-P energy: -91.686 bonds (distance) P-C4' energy: -80.903 flat angles C4'-P-C4' energy: -88.167 flat angles P-C4'-P energy: -65.468 tors. eta vs tors. theta energy: -104.247 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: 8, replica: 1 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1274.730562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.730562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.730562 (E_RNA) where: Base-Base interactions energy: -839.027 where: short stacking energy: -347.060 Base-Backbone interact. energy: -0.605 local terms energy: -435.098364 where: bonds (distance) C4'-P energy: -90.716 bonds (distance) P-C4' energy: -85.169 flat angles C4'-P-C4' energy: -93.292 flat angles P-C4'-P energy: -69.171 tors. eta vs tors. theta energy: -96.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -1062.257003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.257003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.257003 (E_RNA) where: Base-Base interactions energy: -715.926 where: short stacking energy: -326.450 Base-Backbone interact. energy: -1.097 local terms energy: -345.233878 where: bonds (distance) C4'-P energy: -59.385 bonds (distance) P-C4' energy: -84.912 flat angles C4'-P-C4' energy: -86.749 flat angles P-C4'-P energy: -43.313 tors. eta vs tors. theta energy: -70.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -387.307257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.307257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.307257 (E_RNA) where: Base-Base interactions energy: -164.550 where: short stacking energy: -119.123 Base-Backbone interact. energy: 0.411 local terms energy: -223.168804 where: bonds (distance) C4'-P energy: -65.887 bonds (distance) P-C4' energy: -70.387 flat angles C4'-P-C4' energy: -58.005 flat angles P-C4'-P energy: -32.727 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: 1, replica: 3 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1846.455433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.455433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.455433 (E_RNA) where: Base-Base interactions energy: -1291.247 where: short stacking energy: -516.862 Base-Backbone interact. energy: 3.679 local terms energy: -558.887529 where: bonds (distance) C4'-P energy: -100.607 bonds (distance) P-C4' energy: -104.214 flat angles C4'-P-C4' energy: -114.782 flat angles P-C4'-P energy: -75.676 tors. eta vs tors. theta energy: -163.608 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: 195 Temperature: 0.950000 Total energy: -1766.807955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.807955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.807955 (E_RNA) where: Base-Base interactions energy: -1238.856 where: short stacking energy: -508.585 Base-Backbone interact. energy: 1.744 local terms energy: -529.695212 where: bonds (distance) C4'-P energy: -88.220 bonds (distance) P-C4' energy: -100.330 flat angles C4'-P-C4' energy: -108.272 flat angles P-C4'-P energy: -74.757 tors. eta vs tors. theta energy: -158.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1709.287886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.287886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.287886 (E_RNA) where: Base-Base interactions energy: -1199.904 where: short stacking energy: -461.888 Base-Backbone interact. energy: -1.699 local terms energy: -507.684618 where: bonds (distance) C4'-P energy: -96.139 bonds (distance) P-C4' energy: -92.249 flat angles C4'-P-C4' energy: -99.830 flat angles P-C4'-P energy: -74.371 tors. eta vs tors. theta energy: -145.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1596.054143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.054143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.054143 (E_RNA) where: Base-Base interactions energy: -1115.886 where: short stacking energy: -446.664 Base-Backbone interact. energy: 5.827 local terms energy: -485.994803 where: bonds (distance) C4'-P energy: -87.459 bonds (distance) P-C4' energy: -92.208 flat angles C4'-P-C4' energy: -103.287 flat angles P-C4'-P energy: -69.426 tors. eta vs tors. theta energy: -133.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1550.090131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.090131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.090131 (E_RNA) where: Base-Base interactions energy: -1057.392 where: short stacking energy: -429.538 Base-Backbone interact. energy: -0.343 local terms energy: -492.354644 where: bonds (distance) C4'-P energy: -91.192 bonds (distance) P-C4' energy: -93.391 flat angles C4'-P-C4' energy: -110.792 flat angles P-C4'-P energy: -67.182 tors. eta vs tors. theta energy: -129.797 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: 6 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1440.539743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.539743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.539743 (E_RNA) where: Base-Base interactions energy: -974.850 where: short stacking energy: -415.560 Base-Backbone interact. energy: -0.585 local terms energy: -465.105601 where: bonds (distance) C4'-P energy: -92.647 bonds (distance) P-C4' energy: -90.905 flat angles C4'-P-C4' energy: -91.575 flat angles P-C4'-P energy: -78.830 tors. eta vs tors. theta energy: -111.148 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: 7, replica: 7 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1365.018641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.018641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.018641 (E_RNA) where: Base-Base interactions energy: -908.177 where: short stacking energy: -379.240 Base-Backbone interact. energy: -1.669 local terms energy: -455.172229 where: bonds (distance) C4'-P energy: -84.287 bonds (distance) P-C4' energy: -88.079 flat angles C4'-P-C4' energy: -97.550 flat angles P-C4'-P energy: -67.096 tors. eta vs tors. theta energy: -118.160 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: 1 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1268.984974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.984974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.984974 (E_RNA) where: Base-Base interactions energy: -857.153 where: short stacking energy: -354.565 Base-Backbone interact. energy: -1.667 local terms energy: -410.164807 where: bonds (distance) C4'-P energy: -64.910 bonds (distance) P-C4' energy: -89.037 flat angles C4'-P-C4' energy: -93.995 flat angles P-C4'-P energy: -59.375 tors. eta vs tors. theta energy: -102.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -1085.356637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.356637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.356637 (E_RNA) where: Base-Base interactions energy: -718.493 where: short stacking energy: -300.900 Base-Backbone interact. energy: 5.870 local terms energy: -372.733677 where: bonds (distance) C4'-P energy: -91.441 bonds (distance) P-C4' energy: -71.424 flat angles C4'-P-C4' energy: -96.989 flat angles P-C4'-P energy: -36.648 tors. eta vs tors. theta energy: -76.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -384.384882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.384882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.384882 (E_RNA) where: Base-Base interactions energy: -127.005 where: short stacking energy: -108.818 Base-Backbone interact. energy: 1.839 local terms energy: -259.218646 where: bonds (distance) C4'-P energy: -81.729 bonds (distance) P-C4' energy: -76.289 flat angles C4'-P-C4' energy: -76.446 flat angles P-C4'-P energy: -36.349 tors. eta vs tors. theta energy: 11.595 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: 3 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1821.004296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.004296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.004296 (E_RNA) where: Base-Base interactions energy: -1263.118 where: short stacking energy: -508.001 Base-Backbone interact. energy: -0.795 local terms energy: -557.091318 where: bonds (distance) C4'-P energy: -97.042 bonds (distance) P-C4' energy: -98.996 flat angles C4'-P-C4' energy: -118.379 flat angles P-C4'-P energy: -79.488 tors. eta vs tors. theta energy: -163.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1790.594006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.594006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.594006 (E_RNA) where: Base-Base interactions energy: -1250.304 where: short stacking energy: -529.000 Base-Backbone interact. energy: -2.278 local terms energy: -538.011856 where: bonds (distance) C4'-P energy: -90.137 bonds (distance) P-C4' energy: -101.234 flat angles C4'-P-C4' energy: -109.505 flat angles P-C4'-P energy: -71.514 tors. eta vs tors. theta energy: -165.622 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: 3, replica: 2 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1725.756854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.756854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.756854 (E_RNA) where: Base-Base interactions energy: -1234.102 where: short stacking energy: -489.595 Base-Backbone interact. energy: -2.182 local terms energy: -489.472652 where: bonds (distance) C4'-P energy: -88.945 bonds (distance) P-C4' energy: -86.416 flat angles C4'-P-C4' energy: -105.990 flat angles P-C4'-P energy: -65.487 tors. eta vs tors. theta energy: -142.635 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: 4 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1575.895060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.895060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.895060 (E_RNA) where: Base-Base interactions energy: -1111.594 where: short stacking energy: -427.284 Base-Backbone interact. energy: -2.083 local terms energy: -462.218244 where: bonds (distance) C4'-P energy: -99.727 bonds (distance) P-C4' energy: -77.828 flat angles C4'-P-C4' energy: -95.495 flat angles P-C4'-P energy: -66.035 tors. eta vs tors. theta energy: -123.133 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: 5 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1514.806842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.806842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.806842 (E_RNA) where: Base-Base interactions energy: -1050.543 where: short stacking energy: -431.197 Base-Backbone interact. energy: 0.568 local terms energy: -464.831636 where: bonds (distance) C4'-P energy: -82.373 bonds (distance) P-C4' energy: -100.424 flat angles C4'-P-C4' energy: -94.788 flat angles P-C4'-P energy: -63.080 tors. eta vs tors. theta energy: -124.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1424.693720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.693720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.693720 (E_RNA) where: Base-Base interactions energy: -977.773 where: short stacking energy: -397.356 Base-Backbone interact. energy: -1.653 local terms energy: -445.267156 where: bonds (distance) C4'-P energy: -79.394 bonds (distance) P-C4' energy: -72.730 flat angles C4'-P-C4' energy: -101.283 flat angles P-C4'-P energy: -76.975 tors. eta vs tors. theta energy: -114.885 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: 7 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1359.271218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.271218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.271218 (E_RNA) where: Base-Base interactions energy: -911.337 where: short stacking energy: -385.019 Base-Backbone interact. energy: -2.918 local terms energy: -445.016377 where: bonds (distance) C4'-P energy: -84.573 bonds (distance) P-C4' energy: -82.839 flat angles C4'-P-C4' energy: -102.039 flat angles P-C4'-P energy: -61.572 tors. eta vs tors. theta energy: -113.993 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: 8, replica: 1 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1281.060026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.060026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.060026 (E_RNA) where: Base-Base interactions energy: -873.162 where: short stacking energy: -358.479 Base-Backbone interact. energy: 0.627 local terms energy: -408.524985 where: bonds (distance) C4'-P energy: -78.950 bonds (distance) P-C4' energy: -94.502 flat angles C4'-P-C4' energy: -90.224 flat angles P-C4'-P energy: -59.772 tors. eta vs tors. theta energy: -85.077 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: 9 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -1094.427339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.427339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.427339 (E_RNA) where: Base-Base interactions energy: -742.158 where: short stacking energy: -318.809 Base-Backbone interact. energy: -1.040 local terms energy: -351.229636 where: bonds (distance) C4'-P energy: -73.932 bonds (distance) P-C4' energy: -65.301 flat angles C4'-P-C4' energy: -73.941 flat angles P-C4'-P energy: -58.729 tors. eta vs tors. theta energy: -79.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -356.639916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.639916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.639916 (E_RNA) where: Base-Base interactions energy: -155.446 where: short stacking energy: -125.476 Base-Backbone interact. energy: 4.822 local terms energy: -206.016315 where: bonds (distance) C4'-P energy: -60.295 bonds (distance) P-C4' energy: -76.449 flat angles C4'-P-C4' energy: -58.962 flat angles P-C4'-P energy: -26.451 tors. eta vs tors. theta energy: 16.141 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: 3 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1850.147977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.147977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.147977 (E_RNA) where: Base-Base interactions energy: -1319.747 where: short stacking energy: -536.405 Base-Backbone interact. energy: 1.755 local terms energy: -532.155573 where: bonds (distance) C4'-P energy: -88.593 bonds (distance) P-C4' energy: -78.771 flat angles C4'-P-C4' energy: -115.759 flat angles P-C4'-P energy: -84.750 tors. eta vs tors. theta energy: -164.283 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: 8 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1765.301112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.301112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.301112 (E_RNA) where: Base-Base interactions energy: -1225.607 where: short stacking energy: -491.864 Base-Backbone interact. energy: -0.721 local terms energy: -538.973757 where: bonds (distance) C4'-P energy: -91.808 bonds (distance) P-C4' energy: -94.162 flat angles C4'-P-C4' energy: -113.233 flat angles P-C4'-P energy: -82.085 tors. eta vs tors. theta energy: -157.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1699.501759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.501759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.501759 (E_RNA) where: Base-Base interactions energy: -1205.727 where: short stacking energy: -453.327 Base-Backbone interact. energy: -1.950 local terms energy: -491.825732 where: bonds (distance) C4'-P energy: -89.723 bonds (distance) P-C4' energy: -83.048 flat angles C4'-P-C4' energy: -108.708 flat angles P-C4'-P energy: -73.655 tors. eta vs tors. theta energy: -136.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1564.813085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.813085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.813085 (E_RNA) where: Base-Base interactions energy: -1078.773 where: short stacking energy: -447.581 Base-Backbone interact. energy: -0.576 local terms energy: -485.463971 where: bonds (distance) C4'-P energy: -91.641 bonds (distance) P-C4' energy: -84.656 flat angles C4'-P-C4' energy: -102.103 flat angles P-C4'-P energy: -75.628 tors. eta vs tors. theta energy: -131.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1520.307526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.307526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.307526 (E_RNA) where: Base-Base interactions energy: -1065.278 where: short stacking energy: -419.399 Base-Backbone interact. energy: 4.296 local terms energy: -459.325396 where: bonds (distance) C4'-P energy: -85.229 bonds (distance) P-C4' energy: -92.663 flat angles C4'-P-C4' energy: -104.507 flat angles P-C4'-P energy: -57.511 tors. eta vs tors. theta energy: -119.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1437.632560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.632560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.632560 (E_RNA) where: Base-Base interactions energy: -1003.804 where: short stacking energy: -390.443 Base-Backbone interact. energy: -0.656 local terms energy: -433.172422 where: bonds (distance) C4'-P energy: -78.392 bonds (distance) P-C4' energy: -87.206 flat angles C4'-P-C4' energy: -95.583 flat angles P-C4'-P energy: -59.810 tors. eta vs tors. theta energy: -112.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1386.517947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.517947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.517947 (E_RNA) where: Base-Base interactions energy: -965.743 where: short stacking energy: -389.475 Base-Backbone interact. energy: 1.832 local terms energy: -422.606719 where: bonds (distance) C4'-P energy: -74.088 bonds (distance) P-C4' energy: -77.798 flat angles C4'-P-C4' energy: -90.303 flat angles P-C4'-P energy: -64.095 tors. eta vs tors. theta energy: -116.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1171.080323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.080323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.080323 (E_RNA) where: Base-Base interactions energy: -807.471 where: short stacking energy: -344.580 Base-Backbone interact. energy: -1.171 local terms energy: -362.438363 where: bonds (distance) C4'-P energy: -74.250 bonds (distance) P-C4' energy: -62.078 flat angles C4'-P-C4' energy: -95.487 flat angles P-C4'-P energy: -42.001 tors. eta vs tors. theta energy: -88.623 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: 1 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -1253.158503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.158503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.158503 (E_RNA) where: Base-Base interactions energy: -868.435 where: short stacking energy: -368.935 Base-Backbone interact. energy: -1.208 local terms energy: -383.515458 where: bonds (distance) C4'-P energy: -60.904 bonds (distance) P-C4' energy: -71.075 flat angles C4'-P-C4' energy: -86.493 flat angles P-C4'-P energy: -61.492 tors. eta vs tors. theta energy: -103.552 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: 10 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -361.732369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -361.732369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -361.732369 (E_RNA) where: Base-Base interactions energy: -112.614 where: short stacking energy: -89.560 Base-Backbone interact. energy: 2.451 local terms energy: -251.570211 where: bonds (distance) C4'-P energy: -88.657 bonds (distance) P-C4' energy: -82.367 flat angles C4'-P-C4' energy: -62.072 flat angles P-C4'-P energy: -44.986 tors. eta vs tors. theta energy: 26.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1836.106118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.106118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.106118 (E_RNA) where: Base-Base interactions energy: -1292.769 where: short stacking energy: -532.641 Base-Backbone interact. energy: -0.206 local terms energy: -543.130617 where: bonds (distance) C4'-P energy: -99.714 bonds (distance) P-C4' energy: -96.610 flat angles C4'-P-C4' energy: -105.427 flat angles P-C4'-P energy: -76.538 tors. eta vs tors. theta energy: -164.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1779.863769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.863769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.863769 (E_RNA) where: Base-Base interactions energy: -1249.448 where: short stacking energy: -514.208 Base-Backbone interact. energy: -0.135 local terms energy: -530.281220 where: bonds (distance) C4'-P energy: -95.179 bonds (distance) P-C4' energy: -92.131 flat angles C4'-P-C4' energy: -104.683 flat angles P-C4'-P energy: -78.545 tors. eta vs tors. theta energy: -159.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1725.252767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.252767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.252767 (E_RNA) where: Base-Base interactions energy: -1205.183 where: short stacking energy: -460.014 Base-Backbone interact. energy: -0.143 local terms energy: -519.926337 where: bonds (distance) C4'-P energy: -99.568 bonds (distance) P-C4' energy: -99.490 flat angles C4'-P-C4' energy: -109.370 flat angles P-C4'-P energy: -73.786 tors. eta vs tors. theta energy: -137.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1579.505204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.505204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.505204 (E_RNA) where: Base-Base interactions energy: -1091.948 where: short stacking energy: -466.361 Base-Backbone interact. energy: 0.861 local terms energy: -488.418224 where: bonds (distance) C4'-P energy: -89.839 bonds (distance) P-C4' energy: -86.965 flat angles C4'-P-C4' energy: -104.004 flat angles P-C4'-P energy: -68.581 tors. eta vs tors. theta energy: -139.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1530.020800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.020800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.020800 (E_RNA) where: Base-Base interactions energy: -1053.140 where: short stacking energy: -406.849 Base-Backbone interact. energy: -1.566 local terms energy: -475.315397 where: bonds (distance) C4'-P energy: -85.487 bonds (distance) P-C4' energy: -96.184 flat angles C4'-P-C4' energy: -108.387 flat angles P-C4'-P energy: -72.770 tors. eta vs tors. theta energy: -112.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1421.783644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.783644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.783644 (E_RNA) where: Base-Base interactions energy: -974.033 where: short stacking energy: -395.136 Base-Backbone interact. energy: -0.363 local terms energy: -447.388235 where: bonds (distance) C4'-P energy: -79.020 bonds (distance) P-C4' energy: -78.823 flat angles C4'-P-C4' energy: -98.253 flat angles P-C4'-P energy: -78.171 tors. eta vs tors. theta energy: -113.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1386.240163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.240163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.240163 (E_RNA) where: Base-Base interactions energy: -957.466 where: short stacking energy: -378.179 Base-Backbone interact. energy: 2.888 local terms energy: -431.662060 where: bonds (distance) C4'-P energy: -81.536 bonds (distance) P-C4' energy: -95.282 flat angles C4'-P-C4' energy: -92.006 flat angles P-C4'-P energy: -61.676 tors. eta vs tors. theta energy: -101.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1134.995705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.995705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.995705 (E_RNA) where: Base-Base interactions energy: -756.611 where: short stacking energy: -323.247 Base-Backbone interact. energy: 1.116 local terms energy: -379.501136 where: bonds (distance) C4'-P energy: -67.557 bonds (distance) P-C4' energy: -80.462 flat angles C4'-P-C4' energy: -99.825 flat angles P-C4'-P energy: -56.211 tors. eta vs tors. theta energy: -75.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -1239.912886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.912886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.912886 (E_RNA) where: Base-Base interactions energy: -874.088 where: short stacking energy: -357.527 Base-Backbone interact. energy: -0.694 local terms energy: -365.131580 where: bonds (distance) C4'-P energy: -62.977 bonds (distance) P-C4' energy: -80.845 flat angles C4'-P-C4' energy: -84.633 flat angles P-C4'-P energy: -48.487 tors. eta vs tors. theta energy: -88.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -359.468702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.468702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.468702 (E_RNA) where: Base-Base interactions energy: -122.572 where: short stacking energy: -119.995 Base-Backbone interact. energy: 2.649 local terms energy: -239.545754 where: bonds (distance) C4'-P energy: -79.315 bonds (distance) P-C4' energy: -83.307 flat angles C4'-P-C4' energy: -57.178 flat angles P-C4'-P energy: -22.535 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: 1, replica: 3 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1832.975158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.975158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.975158 (E_RNA) where: Base-Base interactions energy: -1307.027 where: short stacking energy: -548.999 Base-Backbone interact. energy: 1.590 local terms energy: -527.537536 where: bonds (distance) C4'-P energy: -84.551 bonds (distance) P-C4' energy: -104.974 flat angles C4'-P-C4' energy: -106.457 flat angles P-C4'-P energy: -63.829 tors. eta vs tors. theta energy: -167.726 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: 8 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1755.371313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.371313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.371313 (E_RNA) where: Base-Base interactions energy: -1222.757 where: short stacking energy: -505.942 Base-Backbone interact. energy: -0.540 local terms energy: -532.075112 where: bonds (distance) C4'-P energy: -99.855 bonds (distance) P-C4' energy: -93.434 flat angles C4'-P-C4' energy: -112.416 flat angles P-C4'-P energy: -72.990 tors. eta vs tors. theta energy: -153.380 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: 199 Temperature: 1.000000 Total energy: -1699.071109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.071109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.071109 (E_RNA) where: Base-Base interactions energy: -1191.405 where: short stacking energy: -459.117 Base-Backbone interact. energy: -0.522 local terms energy: -507.143845 where: bonds (distance) C4'-P energy: -95.482 bonds (distance) P-C4' energy: -91.156 flat angles C4'-P-C4' energy: -110.388 flat angles P-C4'-P energy: -75.160 tors. eta vs tors. theta energy: -134.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1578.157076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.157076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.157076 (E_RNA) where: Base-Base interactions energy: -1094.877 where: short stacking energy: -443.289 Base-Backbone interact. energy: -0.153 local terms energy: -483.126956 where: bonds (distance) C4'-P energy: -84.648 bonds (distance) P-C4' energy: -90.645 flat angles C4'-P-C4' energy: -110.376 flat angles P-C4'-P energy: -65.280 tors. eta vs tors. theta energy: -132.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1547.060682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.060682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.060682 (E_RNA) where: Base-Base interactions energy: -1084.670 where: short stacking energy: -428.806 Base-Backbone interact. energy: -0.546 local terms energy: -461.844417 where: bonds (distance) C4'-P energy: -84.704 bonds (distance) P-C4' energy: -97.172 flat angles C4'-P-C4' energy: -93.312 flat angles P-C4'-P energy: -63.808 tors. eta vs tors. theta energy: -122.849 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: 7 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1445.852762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.852762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.852762 (E_RNA) where: Base-Base interactions energy: -972.675 where: short stacking energy: -410.033 Base-Backbone interact. energy: -1.562 local terms energy: -471.615467 where: bonds (distance) C4'-P energy: -93.402 bonds (distance) P-C4' energy: -90.424 flat angles C4'-P-C4' energy: -108.477 flat angles P-C4'-P energy: -63.470 tors. eta vs tors. theta energy: -115.842 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: 6 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1356.567469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.567469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.567469 (E_RNA) where: Base-Base interactions energy: -946.369 where: short stacking energy: -374.790 Base-Backbone interact. energy: -1.524 local terms energy: -408.674062 where: bonds (distance) C4'-P energy: -70.104 bonds (distance) P-C4' energy: -82.076 flat angles C4'-P-C4' energy: -93.916 flat angles P-C4'-P energy: -59.115 tors. eta vs tors. theta energy: -103.464 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: 8, replica: 1 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1204.096791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.096791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.096791 (E_RNA) where: Base-Base interactions energy: -834.635 where: short stacking energy: -336.020 Base-Backbone interact. energy: 3.574 local terms energy: -373.035106 where: bonds (distance) C4'-P energy: -72.774 bonds (distance) P-C4' energy: -66.306 flat angles C4'-P-C4' energy: -87.517 flat angles P-C4'-P energy: -59.315 tors. eta vs tors. theta energy: -87.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -1074.560711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.560711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.560711 (E_RNA) where: Base-Base interactions energy: -717.064 where: short stacking energy: -294.754 Base-Backbone interact. energy: 0.953 local terms energy: -358.450596 where: bonds (distance) C4'-P energy: -74.705 bonds (distance) P-C4' energy: -89.922 flat angles C4'-P-C4' energy: -82.836 flat angles P-C4'-P energy: -50.072 tors. eta vs tors. theta energy: -60.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -394.805526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.805526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.805526 (E_RNA) where: Base-Base interactions energy: -148.176 where: short stacking energy: -99.373 Base-Backbone interact. energy: -1.594 local terms energy: -245.035610 where: bonds (distance) C4'-P energy: -78.836 bonds (distance) P-C4' energy: -85.121 flat angles C4'-P-C4' energy: -55.287 flat angles P-C4'-P energy: -42.830 tors. eta vs tors. theta energy: 17.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1802.453180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.453180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.453180 (E_RNA) where: Base-Base interactions energy: -1271.167 where: short stacking energy: -525.606 Base-Backbone interact. energy: -1.028 local terms energy: -530.258096 where: bonds (distance) C4'-P energy: -100.043 bonds (distance) P-C4' energy: -83.646 flat angles C4'-P-C4' energy: -111.472 flat angles P-C4'-P energy: -73.850 tors. eta vs tors. theta energy: -161.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1805.038346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.038346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.038346 (E_RNA) where: Base-Base interactions energy: -1271.062 where: short stacking energy: -511.039 Base-Backbone interact. energy: -0.631 local terms energy: -533.345859 where: bonds (distance) C4'-P energy: -94.910 bonds (distance) P-C4' energy: -91.234 flat angles C4'-P-C4' energy: -103.882 flat angles P-C4'-P energy: -85.218 tors. eta vs tors. theta energy: -158.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1684.492937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.492937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.492937 (E_RNA) where: Base-Base interactions energy: -1207.980 where: short stacking energy: -485.233 Base-Backbone interact. energy: -2.061 local terms energy: -474.452052 where: bonds (distance) C4'-P energy: -86.215 bonds (distance) P-C4' energy: -85.631 flat angles C4'-P-C4' energy: -97.407 flat angles P-C4'-P energy: -67.065 tors. eta vs tors. theta energy: -138.134 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: 5 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1564.947058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.947058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.947058 (E_RNA) where: Base-Base interactions energy: -1082.806 where: short stacking energy: -449.990 Base-Backbone interact. energy: 0.070 local terms energy: -482.211706 where: bonds (distance) C4'-P energy: -82.315 bonds (distance) P-C4' energy: -90.444 flat angles C4'-P-C4' energy: -106.131 flat angles P-C4'-P energy: -72.489 tors. eta vs tors. theta energy: -130.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1518.361555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.361555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.361555 (E_RNA) where: Base-Base interactions energy: -1062.007 where: short stacking energy: -419.075 Base-Backbone interact. energy: 4.045 local terms energy: -460.399724 where: bonds (distance) C4'-P energy: -77.027 bonds (distance) P-C4' energy: -89.896 flat angles C4'-P-C4' energy: -99.518 flat angles P-C4'-P energy: -68.440 tors. eta vs tors. theta energy: -125.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1396.213170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.213170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.213170 (E_RNA) where: Base-Base interactions energy: -947.704 where: short stacking energy: -380.315 Base-Backbone interact. energy: -1.166 local terms energy: -447.342874 where: bonds (distance) C4'-P energy: -85.723 bonds (distance) P-C4' energy: -82.565 flat angles C4'-P-C4' energy: -99.947 flat angles P-C4'-P energy: -69.069 tors. eta vs tors. theta energy: -110.040 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: 6 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1389.979641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.979641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.979641 (E_RNA) where: Base-Base interactions energy: -933.902 where: short stacking energy: -371.838 Base-Backbone interact. energy: -1.321 local terms energy: -454.756836 where: bonds (distance) C4'-P energy: -84.357 bonds (distance) P-C4' energy: -93.922 flat angles C4'-P-C4' energy: -98.249 flat angles P-C4'-P energy: -67.541 tors. eta vs tors. theta energy: -110.688 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: 1 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1200.312216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.312216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.312216 (E_RNA) where: Base-Base interactions energy: -816.343 where: short stacking energy: -347.043 Base-Backbone interact. energy: -1.166 local terms energy: -382.803218 where: bonds (distance) C4'-P energy: -84.177 bonds (distance) P-C4' energy: -75.324 flat angles C4'-P-C4' energy: -90.251 flat angles P-C4'-P energy: -44.835 tors. eta vs tors. theta energy: -88.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -1077.624983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.624983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.624983 (E_RNA) where: Base-Base interactions energy: -704.499 where: short stacking energy: -302.869 Base-Backbone interact. energy: -0.919 local terms energy: -372.207486 where: bonds (distance) C4'-P energy: -78.265 bonds (distance) P-C4' energy: -86.095 flat angles C4'-P-C4' energy: -77.183 flat angles P-C4'-P energy: -53.438 tors. eta vs tors. theta energy: -77.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -371.378092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.378092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.378092 (E_RNA) where: Base-Base interactions energy: -117.298 where: short stacking energy: -95.976 Base-Backbone interact. energy: -1.412 local terms energy: -252.667295 where: bonds (distance) C4'-P energy: -79.016 bonds (distance) P-C4' energy: -97.565 flat angles C4'-P-C4' energy: -63.313 flat angles P-C4'-P energy: -34.807 tors. eta vs tors. theta energy: 22.033 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: 8 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1792.590951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.590951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.590951 (E_RNA) where: Base-Base interactions energy: -1240.396 where: short stacking energy: -507.388 Base-Backbone interact. energy: -0.491 local terms energy: -551.704409 where: bonds (distance) C4'-P energy: -93.850 bonds (distance) P-C4' energy: -97.523 flat angles C4'-P-C4' energy: -114.417 flat angles P-C4'-P energy: -82.696 tors. eta vs tors. theta energy: -163.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1810.311629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.311629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.311629 (E_RNA) where: Base-Base interactions energy: -1279.808 where: short stacking energy: -522.936 Base-Backbone interact. energy: 1.298 local terms energy: -531.801576 where: bonds (distance) C4'-P energy: -88.980 bonds (distance) P-C4' energy: -82.829 flat angles C4'-P-C4' energy: -112.813 flat angles P-C4'-P energy: -81.092 tors. eta vs tors. theta energy: -166.087 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: 3, replica: 2 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1722.395108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.395108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.395108 (E_RNA) where: Base-Base interactions energy: -1237.154 where: short stacking energy: -478.268 Base-Backbone interact. energy: -2.003 local terms energy: -483.238396 where: bonds (distance) C4'-P energy: -87.262 bonds (distance) P-C4' energy: -85.110 flat angles C4'-P-C4' energy: -94.847 flat angles P-C4'-P energy: -72.543 tors. eta vs tors. theta energy: -143.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1573.821934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.821934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.821934 (E_RNA) where: Base-Base interactions energy: -1071.126 where: short stacking energy: -438.343 Base-Backbone interact. energy: -1.799 local terms energy: -500.897262 where: bonds (distance) C4'-P energy: -97.907 bonds (distance) P-C4' energy: -92.018 flat angles C4'-P-C4' energy: -112.684 flat angles P-C4'-P energy: -71.984 tors. eta vs tors. theta energy: -126.304 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: 4 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1561.581802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.581802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.581802 (E_RNA) where: Base-Base interactions energy: -1113.255 where: short stacking energy: -445.081 Base-Backbone interact. energy: -2.469 local terms energy: -445.857410 where: bonds (distance) C4'-P energy: -80.171 bonds (distance) P-C4' energy: -72.139 flat angles C4'-P-C4' energy: -100.923 flat angles P-C4'-P energy: -69.237 tors. eta vs tors. theta energy: -123.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1443.143178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.143178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.143178 (E_RNA) where: Base-Base interactions energy: -987.543 where: short stacking energy: -431.883 Base-Backbone interact. energy: -1.142 local terms energy: -454.458101 where: bonds (distance) C4'-P energy: -81.097 bonds (distance) P-C4' energy: -81.949 flat angles C4'-P-C4' energy: -100.359 flat angles P-C4'-P energy: -63.281 tors. eta vs tors. theta energy: -127.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1384.252662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.252662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.252662 (E_RNA) where: Base-Base interactions energy: -937.253 where: short stacking energy: -386.803 Base-Backbone interact. energy: -1.902 local terms energy: -445.097669 where: bonds (distance) C4'-P energy: -85.616 bonds (distance) P-C4' energy: -85.759 flat angles C4'-P-C4' energy: -96.715 flat angles P-C4'-P energy: -61.420 tors. eta vs tors. theta energy: -115.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1210.817564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.817564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.817564 (E_RNA) where: Base-Base interactions energy: -828.848 where: short stacking energy: -360.311 Base-Backbone interact. energy: 0.127 local terms energy: -382.096158 where: bonds (distance) C4'-P energy: -62.508 bonds (distance) P-C4' energy: -80.855 flat angles C4'-P-C4' energy: -91.700 flat angles P-C4'-P energy: -50.017 tors. eta vs tors. theta energy: -97.016 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: 9 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -1040.290712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.290712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.290712 (E_RNA) where: Base-Base interactions energy: -687.502 where: short stacking energy: -297.570 Base-Backbone interact. energy: -1.232 local terms energy: -351.557144 where: bonds (distance) C4'-P energy: -75.806 bonds (distance) P-C4' energy: -66.502 flat angles C4'-P-C4' energy: -90.098 flat angles P-C4'-P energy: -56.215 tors. eta vs tors. theta energy: -62.935 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: 10 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -382.801128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.801128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.801128 (E_RNA) where: Base-Base interactions energy: -157.425 where: short stacking energy: -121.618 Base-Backbone interact. energy: 0.945 local terms energy: -226.321717 where: bonds (distance) C4'-P energy: -70.670 bonds (distance) P-C4' energy: -73.142 flat angles C4'-P-C4' energy: -53.131 flat angles P-C4'-P energy: -26.846 tors. eta vs tors. theta energy: -2.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1825.556180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.556180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.556180 (E_RNA) where: Base-Base interactions energy: -1268.151 where: short stacking energy: -511.902 Base-Backbone interact. energy: -0.144 local terms energy: -557.260808 where: bonds (distance) C4'-P energy: -100.964 bonds (distance) P-C4' energy: -98.883 flat angles C4'-P-C4' energy: -117.970 flat angles P-C4'-P energy: -76.647 tors. eta vs tors. theta energy: -162.796 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: 8 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1740.773762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.773762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.773762 (E_RNA) where: Base-Base interactions energy: -1233.360 where: short stacking energy: -508.408 Base-Backbone interact. energy: -0.714 local terms energy: -506.698857 where: bonds (distance) C4'-P energy: -69.469 bonds (distance) P-C4' energy: -78.001 flat angles C4'-P-C4' energy: -116.398 flat angles P-C4'-P energy: -84.162 tors. eta vs tors. theta energy: -158.669 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: 2 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1708.272617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.272617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.272617 (E_RNA) where: Base-Base interactions energy: -1205.163 where: short stacking energy: -453.729 Base-Backbone interact. energy: -2.088 local terms energy: -501.021056 where: bonds (distance) C4'-P energy: -102.525 bonds (distance) P-C4' energy: -95.203 flat angles C4'-P-C4' energy: -98.092 flat angles P-C4'-P energy: -71.071 tors. eta vs tors. theta energy: -134.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1544.355618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.355618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.355618 (E_RNA) where: Base-Base interactions energy: -1061.851 where: short stacking energy: -418.444 Base-Backbone interact. energy: -0.170 local terms energy: -482.334232 where: bonds (distance) C4'-P energy: -85.526 bonds (distance) P-C4' energy: -97.354 flat angles C4'-P-C4' energy: -99.195 flat angles P-C4'-P energy: -77.332 tors. eta vs tors. theta energy: -122.928 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: 4 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1543.151336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.151336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.151336 (E_RNA) where: Base-Base interactions energy: -1058.154 where: short stacking energy: -413.565 Base-Backbone interact. energy: -2.040 local terms energy: -482.956584 where: bonds (distance) C4'-P energy: -95.544 bonds (distance) P-C4' energy: -96.103 flat angles C4'-P-C4' energy: -103.726 flat angles P-C4'-P energy: -66.290 tors. eta vs tors. theta energy: -121.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1436.655992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.655992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.655992 (E_RNA) where: Base-Base interactions energy: -996.205 where: short stacking energy: -420.503 Base-Backbone interact. energy: 1.932 local terms energy: -442.382856 where: bonds (distance) C4'-P energy: -78.772 bonds (distance) P-C4' energy: -74.591 flat angles C4'-P-C4' energy: -90.026 flat angles P-C4'-P energy: -70.542 tors. eta vs tors. theta energy: -128.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1392.956504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.956504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.956504 (E_RNA) where: Base-Base interactions energy: -955.899 where: short stacking energy: -401.815 Base-Backbone interact. energy: -0.662 local terms energy: -436.395154 where: bonds (distance) C4'-P energy: -70.717 bonds (distance) P-C4' energy: -96.214 flat angles C4'-P-C4' energy: -101.083 flat angles P-C4'-P energy: -51.165 tors. eta vs tors. theta energy: -117.217 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: 1 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1185.396205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.396205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.396205 (E_RNA) where: Base-Base interactions energy: -801.080 where: short stacking energy: -343.265 Base-Backbone interact. energy: -2.945 local terms energy: -381.372039 where: bonds (distance) C4'-P energy: -58.705 bonds (distance) P-C4' energy: -89.863 flat angles C4'-P-C4' energy: -85.432 flat angles P-C4'-P energy: -55.367 tors. eta vs tors. theta energy: -92.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -991.925450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.925450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.925450 (E_RNA) where: Base-Base interactions energy: -636.370 where: short stacking energy: -273.052 Base-Backbone interact. energy: 1.045 local terms energy: -356.600094 where: bonds (distance) C4'-P energy: -77.647 bonds (distance) P-C4' energy: -87.034 flat angles C4'-P-C4' energy: -84.378 flat angles P-C4'-P energy: -48.535 tors. eta vs tors. theta energy: -59.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -390.888098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.888098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.888098 (E_RNA) where: Base-Base interactions energy: -126.943 where: short stacking energy: -118.871 Base-Backbone interact. energy: 3.754 local terms energy: -267.699501 where: bonds (distance) C4'-P energy: -82.376 bonds (distance) P-C4' energy: -92.221 flat angles C4'-P-C4' energy: -65.332 flat angles P-C4'-P energy: -28.298 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: 1, replica: 3 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1843.872568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.872568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.872568 (E_RNA) where: Base-Base interactions energy: -1285.940 where: short stacking energy: -517.817 Base-Backbone interact. energy: -0.351 local terms energy: -557.580784 where: bonds (distance) C4'-P energy: -94.738 bonds (distance) P-C4' energy: -99.053 flat angles C4'-P-C4' energy: -112.604 flat angles P-C4'-P energy: -84.197 tors. eta vs tors. theta energy: -166.989 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: 8 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1768.548340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.548340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.548340 (E_RNA) where: Base-Base interactions energy: -1234.997 where: short stacking energy: -509.672 Base-Backbone interact. energy: -1.072 local terms energy: -532.479230 where: bonds (distance) C4'-P energy: -103.127 bonds (distance) P-C4' energy: -89.966 flat angles C4'-P-C4' energy: -98.281 flat angles P-C4'-P energy: -79.386 tors. eta vs tors. theta energy: -161.720 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: 2 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1701.508280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.508280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.508280 (E_RNA) where: Base-Base interactions energy: -1193.751 where: short stacking energy: -474.589 Base-Backbone interact. energy: 0.667 local terms energy: -508.423812 where: bonds (distance) C4'-P energy: -96.105 bonds (distance) P-C4' energy: -89.283 flat angles C4'-P-C4' energy: -103.450 flat angles P-C4'-P energy: -72.365 tors. eta vs tors. theta energy: -147.222 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: 4 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1587.558931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.558931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.558931 (E_RNA) where: Base-Base interactions energy: -1127.260 where: short stacking energy: -445.912 Base-Backbone interact. energy: -1.778 local terms energy: -458.520394 where: bonds (distance) C4'-P energy: -69.746 bonds (distance) P-C4' energy: -85.714 flat angles C4'-P-C4' energy: -103.182 flat angles P-C4'-P energy: -72.343 tors. eta vs tors. theta energy: -127.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1511.826640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.826640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.826640 (E_RNA) where: Base-Base interactions energy: -1030.607 where: short stacking energy: -423.089 Base-Backbone interact. energy: -1.155 local terms energy: -480.065042 where: bonds (distance) C4'-P energy: -92.919 bonds (distance) P-C4' energy: -88.802 flat angles C4'-P-C4' energy: -104.886 flat angles P-C4'-P energy: -64.547 tors. eta vs tors. theta energy: -128.912 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: 6, replica: 7 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1429.073483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.073483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.073483 (E_RNA) where: Base-Base interactions energy: -978.025 where: short stacking energy: -386.834 Base-Backbone interact. energy: -0.634 local terms energy: -450.414795 where: bonds (distance) C4'-P energy: -79.434 bonds (distance) P-C4' energy: -98.496 flat angles C4'-P-C4' energy: -96.397 flat angles P-C4'-P energy: -60.427 tors. eta vs tors. theta energy: -115.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1370.329075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.329075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.329075 (E_RNA) where: Base-Base interactions energy: -931.308 where: short stacking energy: -382.480 Base-Backbone interact. energy: -1.773 local terms energy: -437.248256 where: bonds (distance) C4'-P energy: -80.551 bonds (distance) P-C4' energy: -87.428 flat angles C4'-P-C4' energy: -98.520 flat angles P-C4'-P energy: -55.583 tors. eta vs tors. theta energy: -115.166 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: 1 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1195.508736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.508736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.508736 (E_RNA) where: Base-Base interactions energy: -811.144 where: short stacking energy: -329.820 Base-Backbone interact. energy: -0.605 local terms energy: -383.759320 where: bonds (distance) C4'-P energy: -55.094 bonds (distance) P-C4' energy: -86.622 flat angles C4'-P-C4' energy: -86.667 flat angles P-C4'-P energy: -70.046 tors. eta vs tors. theta energy: -85.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -1014.814696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.814696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.814696 (E_RNA) where: Base-Base interactions energy: -655.543 where: short stacking energy: -270.301 Base-Backbone interact. energy: -1.404 local terms energy: -357.867519 where: bonds (distance) C4'-P energy: -75.588 bonds (distance) P-C4' energy: -75.475 flat angles C4'-P-C4' energy: -80.541 flat angles P-C4'-P energy: -60.368 tors. eta vs tors. theta energy: -65.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -471.958618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.958618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.958618 (E_RNA) where: Base-Base interactions energy: -221.884 where: short stacking energy: -127.142 Base-Backbone interact. energy: -1.678 local terms energy: -248.396727 where: bonds (distance) C4'-P energy: -73.019 bonds (distance) P-C4' energy: -76.267 flat angles C4'-P-C4' energy: -58.507 flat angles P-C4'-P energy: -48.864 tors. eta vs tors. theta energy: 8.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1849.347803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.347803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.347803 (E_RNA) where: Base-Base interactions energy: -1299.920 where: short stacking energy: -529.786 Base-Backbone interact. energy: -1.036 local terms energy: -548.391931 where: bonds (distance) C4'-P energy: -96.041 bonds (distance) P-C4' energy: -92.799 flat angles C4'-P-C4' energy: -117.396 flat angles P-C4'-P energy: -82.698 tors. eta vs tors. theta energy: -159.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1754.375321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.375321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.375321 (E_RNA) where: Base-Base interactions energy: -1204.571 where: short stacking energy: -479.285 Base-Backbone interact. energy: -1.444 local terms energy: -548.360449 where: bonds (distance) C4'-P energy: -103.670 bonds (distance) P-C4' energy: -93.265 flat angles C4'-P-C4' energy: -110.426 flat angles P-C4'-P energy: -78.342 tors. eta vs tors. theta energy: -162.658 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: 2 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1724.865092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.865092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.865092 (E_RNA) where: Base-Base interactions energy: -1205.864 where: short stacking energy: -458.993 Base-Backbone interact. energy: -0.702 local terms energy: -518.299689 where: bonds (distance) C4'-P energy: -83.549 bonds (distance) P-C4' energy: -98.446 flat angles C4'-P-C4' energy: -109.708 flat angles P-C4'-P energy: -79.486 tors. eta vs tors. theta energy: -147.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1576.991343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.991343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.991343 (E_RNA) where: Base-Base interactions energy: -1095.910 where: short stacking energy: -428.621 Base-Backbone interact. energy: -1.075 local terms energy: -480.006532 where: bonds (distance) C4'-P energy: -83.355 bonds (distance) P-C4' energy: -98.202 flat angles C4'-P-C4' energy: -102.447 flat angles P-C4'-P energy: -77.310 tors. eta vs tors. theta energy: -118.693 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: 7 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1500.763639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.763639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.763639 (E_RNA) where: Base-Base interactions energy: -1033.310 where: short stacking energy: -430.595 Base-Backbone interact. energy: -2.025 local terms energy: -465.428515 where: bonds (distance) C4'-P energy: -72.194 bonds (distance) P-C4' energy: -90.412 flat angles C4'-P-C4' energy: -96.700 flat angles P-C4'-P energy: -67.000 tors. eta vs tors. theta energy: -139.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1463.128966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.128966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.128966 (E_RNA) where: Base-Base interactions energy: -984.309 where: short stacking energy: -397.309 Base-Backbone interact. energy: -1.625 local terms energy: -477.195091 where: bonds (distance) C4'-P energy: -92.805 bonds (distance) P-C4' energy: -96.105 flat angles C4'-P-C4' energy: -101.943 flat angles P-C4'-P energy: -65.089 tors. eta vs tors. theta energy: -121.254 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: 6 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1352.418686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.418686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.418686 (E_RNA) where: Base-Base interactions energy: -926.814 where: short stacking energy: -382.964 Base-Backbone interact. energy: 1.479 local terms energy: -427.083254 where: bonds (distance) C4'-P energy: -86.357 bonds (distance) P-C4' energy: -69.229 flat angles C4'-P-C4' energy: -98.933 flat angles P-C4'-P energy: -65.273 tors. eta vs tors. theta energy: -107.291 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: 1 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1221.643602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.643602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.643602 (E_RNA) where: Base-Base interactions energy: -829.512 where: short stacking energy: -349.653 Base-Backbone interact. energy: -1.148 local terms energy: -390.983631 where: bonds (distance) C4'-P energy: -81.891 bonds (distance) P-C4' energy: -80.890 flat angles C4'-P-C4' energy: -92.524 flat angles P-C4'-P energy: -49.820 tors. eta vs tors. theta energy: -85.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -1012.036826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.036826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.036826 (E_RNA) where: Base-Base interactions energy: -657.283 where: short stacking energy: -280.644 Base-Backbone interact. energy: -0.259 local terms energy: -354.495033 where: bonds (distance) C4'-P energy: -75.836 bonds (distance) P-C4' energy: -81.541 flat angles C4'-P-C4' energy: -89.576 flat angles P-C4'-P energy: -45.460 tors. eta vs tors. theta energy: -62.083 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: 10 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -512.515144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.515144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.515144 (E_RNA) where: Base-Base interactions energy: -257.201 where: short stacking energy: -131.268 Base-Backbone interact. energy: 2.558 local terms energy: -257.872470 where: bonds (distance) C4'-P energy: -70.254 bonds (distance) P-C4' energy: -82.990 flat angles C4'-P-C4' energy: -61.783 flat angles P-C4'-P energy: -39.018 tors. eta vs tors. theta energy: -3.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1842.441901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.441901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.441901 (E_RNA) where: Base-Base interactions energy: -1287.596 where: short stacking energy: -521.723 Base-Backbone interact. energy: 0.088 local terms energy: -554.933064 where: bonds (distance) C4'-P energy: -91.026 bonds (distance) P-C4' energy: -98.662 flat angles C4'-P-C4' energy: -120.508 flat angles P-C4'-P energy: -81.893 tors. eta vs tors. theta energy: -162.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1751.035975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.035975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.035975 (E_RNA) where: Base-Base interactions energy: -1234.365 where: short stacking energy: -470.660 Base-Backbone interact. energy: -1.826 local terms energy: -514.845202 where: bonds (distance) C4'-P energy: -86.642 bonds (distance) P-C4' energy: -95.062 flat angles C4'-P-C4' energy: -106.222 flat angles P-C4'-P energy: -79.622 tors. eta vs tors. theta energy: -147.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1726.116639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.116639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.116639 (E_RNA) where: Base-Base interactions energy: -1194.332 where: short stacking energy: -486.337 Base-Backbone interact. energy: -0.774 local terms energy: -531.010713 where: bonds (distance) C4'-P energy: -106.577 bonds (distance) P-C4' energy: -84.444 flat angles C4'-P-C4' energy: -108.660 flat angles P-C4'-P energy: -81.037 tors. eta vs tors. theta energy: -150.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1538.006083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.006083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.006083 (E_RNA) where: Base-Base interactions energy: -1076.718 where: short stacking energy: -419.792 Base-Backbone interact. energy: -0.414 local terms energy: -460.874245 where: bonds (distance) C4'-P energy: -89.963 bonds (distance) P-C4' energy: -87.639 flat angles C4'-P-C4' energy: -97.002 flat angles P-C4'-P energy: -63.704 tors. eta vs tors. theta energy: -122.566 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: 5, replica: 7 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1502.512304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.512304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.512304 (E_RNA) where: Base-Base interactions energy: -1030.503 where: short stacking energy: -411.784 Base-Backbone interact. energy: -2.726 local terms energy: -469.283135 where: bonds (distance) C4'-P energy: -90.537 bonds (distance) P-C4' energy: -88.758 flat angles C4'-P-C4' energy: -105.585 flat angles P-C4'-P energy: -64.132 tors. eta vs tors. theta energy: -120.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1473.343658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.343658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.343658 (E_RNA) where: Base-Base interactions energy: -1012.576 where: short stacking energy: -417.849 Base-Backbone interact. energy: 3.201 local terms energy: -463.968617 where: bonds (distance) C4'-P energy: -88.037 bonds (distance) P-C4' energy: -80.703 flat angles C4'-P-C4' energy: -105.861 flat angles P-C4'-P energy: -68.639 tors. eta vs tors. theta energy: -120.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1378.575471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.575471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.575471 (E_RNA) where: Base-Base interactions energy: -964.017 where: short stacking energy: -386.623 Base-Backbone interact. energy: -0.590 local terms energy: -413.968905 where: bonds (distance) C4'-P energy: -72.991 bonds (distance) P-C4' energy: -75.099 flat angles C4'-P-C4' energy: -81.425 flat angles P-C4'-P energy: -75.850 tors. eta vs tors. theta energy: -108.603 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: 1 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1226.589487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.589487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.589487 (E_RNA) where: Base-Base interactions energy: -838.763 where: short stacking energy: -323.926 Base-Backbone interact. energy: -2.027 local terms energy: -385.799562 where: bonds (distance) C4'-P energy: -75.640 bonds (distance) P-C4' energy: -80.360 flat angles C4'-P-C4' energy: -90.153 flat angles P-C4'-P energy: -61.172 tors. eta vs tors. theta energy: -78.475 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: 205 Temperature: 1.300000 Total energy: -1016.971438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.971438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.971438 (E_RNA) where: Base-Base interactions energy: -676.117 where: short stacking energy: -289.700 Base-Backbone interact. energy: 1.069 local terms energy: -341.922876 where: bonds (distance) C4'-P energy: -66.742 bonds (distance) P-C4' energy: -69.186 flat angles C4'-P-C4' energy: -79.987 flat angles P-C4'-P energy: -62.173 tors. eta vs tors. theta energy: -63.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -562.595693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.595693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.595693 (E_RNA) where: Base-Base interactions energy: -270.811 where: short stacking energy: -146.588 Base-Backbone interact. energy: 0.858 local terms energy: -292.642863 where: bonds (distance) C4'-P energy: -94.921 bonds (distance) P-C4' energy: -84.612 flat angles C4'-P-C4' energy: -70.296 flat angles P-C4'-P energy: -40.339 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: 1, replica: 3 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1853.450310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.450310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.450310 (E_RNA) where: Base-Base interactions energy: -1295.408 where: short stacking energy: -529.428 Base-Backbone interact. energy: 0.473 local terms energy: -558.515337 where: bonds (distance) C4'-P energy: -94.391 bonds (distance) P-C4' energy: -98.401 flat angles C4'-P-C4' energy: -118.241 flat angles P-C4'-P energy: -84.467 tors. eta vs tors. theta energy: -163.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1767.088235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.088235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.088235 (E_RNA) where: Base-Base interactions energy: -1240.991 where: short stacking energy: -487.807 Base-Backbone interact. energy: -0.720 local terms energy: -525.377106 where: bonds (distance) C4'-P energy: -83.073 bonds (distance) P-C4' energy: -91.337 flat angles C4'-P-C4' energy: -115.767 flat angles P-C4'-P energy: -78.014 tors. eta vs tors. theta energy: -157.187 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: 206 Temperature: 1.000000 Total energy: -1715.476004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.476004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.476004 (E_RNA) where: Base-Base interactions energy: -1196.506 where: short stacking energy: -488.973 Base-Backbone interact. energy: -1.180 local terms energy: -517.790126 where: bonds (distance) C4'-P energy: -95.653 bonds (distance) P-C4' energy: -90.802 flat angles C4'-P-C4' energy: -108.300 flat angles P-C4'-P energy: -74.552 tors. eta vs tors. theta energy: -148.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1540.820371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.820371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.820371 (E_RNA) where: Base-Base interactions energy: -1087.435 where: short stacking energy: -444.080 Base-Backbone interact. energy: -0.950 local terms energy: -452.435132 where: bonds (distance) C4'-P energy: -70.145 bonds (distance) P-C4' energy: -94.397 flat angles C4'-P-C4' energy: -92.603 flat angles P-C4'-P energy: -72.614 tors. eta vs tors. theta energy: -122.676 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: 7 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1537.866198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.866198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.866198 (E_RNA) where: Base-Base interactions energy: -1058.486 where: short stacking energy: -433.053 Base-Backbone interact. energy: 1.646 local terms energy: -481.026201 where: bonds (distance) C4'-P energy: -94.637 bonds (distance) P-C4' energy: -87.504 flat angles C4'-P-C4' energy: -92.030 flat angles P-C4'-P energy: -69.306 tors. eta vs tors. theta energy: -137.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1442.628507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.628507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.628507 (E_RNA) where: Base-Base interactions energy: -999.322 where: short stacking energy: -407.770 Base-Backbone interact. energy: 0.682 local terms energy: -443.988970 where: bonds (distance) C4'-P energy: -85.772 bonds (distance) P-C4' energy: -98.220 flat angles C4'-P-C4' energy: -98.426 flat angles P-C4'-P energy: -46.392 tors. eta vs tors. theta energy: -115.179 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: 206 Temperature: 1.200000 Total energy: -1421.232129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.232129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.232129 (E_RNA) where: Base-Base interactions energy: -958.317 where: short stacking energy: -399.918 Base-Backbone interact. energy: 0.733 local terms energy: -463.647962 where: bonds (distance) C4'-P energy: -90.432 bonds (distance) P-C4' energy: -97.035 flat angles C4'-P-C4' energy: -93.659 flat angles P-C4'-P energy: -67.530 tors. eta vs tors. theta energy: -114.993 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: 8, replica: 1 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1270.854758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.854758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.854758 (E_RNA) where: Base-Base interactions energy: -867.234 where: short stacking energy: -351.925 Base-Backbone interact. energy: -2.430 local terms energy: -401.190628 where: bonds (distance) C4'-P energy: -76.316 bonds (distance) P-C4' energy: -66.764 flat angles C4'-P-C4' energy: -102.628 flat angles P-C4'-P energy: -55.100 tors. eta vs tors. theta energy: -100.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -1006.808139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.808139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.808139 (E_RNA) where: Base-Base interactions energy: -659.103 where: short stacking energy: -291.516 Base-Backbone interact. energy: -1.120 local terms energy: -346.584748 where: bonds (distance) C4'-P energy: -83.877 bonds (distance) P-C4' energy: -76.878 flat angles C4'-P-C4' energy: -79.248 flat angles P-C4'-P energy: -51.029 tors. eta vs tors. theta energy: -55.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -582.160770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.160770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.160770 (E_RNA) where: Base-Base interactions energy: -293.596 where: short stacking energy: -167.405 Base-Backbone interact. energy: 0.235 local terms energy: -288.799738 where: bonds (distance) C4'-P energy: -71.022 bonds (distance) P-C4' energy: -76.416 flat angles C4'-P-C4' energy: -76.215 flat angles P-C4'-P energy: -38.475 tors. eta vs tors. theta energy: -26.672 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: 3 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1828.674597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.674597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.674597 (E_RNA) where: Base-Base interactions energy: -1286.121 where: short stacking energy: -508.559 Base-Backbone interact. energy: -0.942 local terms energy: -541.611572 where: bonds (distance) C4'-P energy: -94.063 bonds (distance) P-C4' energy: -94.436 flat angles C4'-P-C4' energy: -120.190 flat angles P-C4'-P energy: -78.381 tors. eta vs tors. theta energy: -154.540 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: 8 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1775.015178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.015178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.015178 (E_RNA) where: Base-Base interactions energy: -1243.218 where: short stacking energy: -487.390 Base-Backbone interact. energy: 1.624 local terms energy: -533.421237 where: bonds (distance) C4'-P energy: -91.523 bonds (distance) P-C4' energy: -99.471 flat angles C4'-P-C4' energy: -110.426 flat angles P-C4'-P energy: -74.301 tors. eta vs tors. theta energy: -157.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1733.308136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.308136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.308136 (E_RNA) where: Base-Base interactions energy: -1238.653 where: short stacking energy: -483.269 Base-Backbone interact. energy: -1.027 local terms energy: -493.628300 where: bonds (distance) C4'-P energy: -75.037 bonds (distance) P-C4' energy: -89.228 flat angles C4'-P-C4' energy: -105.742 flat angles P-C4'-P energy: -78.516 tors. eta vs tors. theta energy: -145.106 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: 4, replica: 7 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1601.203381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.203381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.203381 (E_RNA) where: Base-Base interactions energy: -1119.151 where: short stacking energy: -434.348 Base-Backbone interact. energy: 2.380 local terms energy: -484.432466 where: bonds (distance) C4'-P energy: -87.372 bonds (distance) P-C4' energy: -88.712 flat angles C4'-P-C4' energy: -103.422 flat angles P-C4'-P energy: -63.909 tors. eta vs tors. theta energy: -141.016 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: 5, replica: 4 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1511.660893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.660893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.660893 (E_RNA) where: Base-Base interactions energy: -1066.939 where: short stacking energy: -424.096 Base-Backbone interact. energy: 0.883 local terms energy: -445.605059 where: bonds (distance) C4'-P energy: -84.222 bonds (distance) P-C4' energy: -79.771 flat angles C4'-P-C4' energy: -98.725 flat angles P-C4'-P energy: -63.202 tors. eta vs tors. theta energy: -119.684 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: 6 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1395.972125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.972125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.972125 (E_RNA) where: Base-Base interactions energy: -943.963 where: short stacking energy: -395.217 Base-Backbone interact. energy: -1.257 local terms energy: -450.752068 where: bonds (distance) C4'-P energy: -91.429 bonds (distance) P-C4' energy: -101.830 flat angles C4'-P-C4' energy: -86.970 flat angles P-C4'-P energy: -60.218 tors. eta vs tors. theta energy: -110.305 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: 5 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1383.219856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.219856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.219856 (E_RNA) where: Base-Base interactions energy: -935.744 where: short stacking energy: -383.697 Base-Backbone interact. energy: -0.622 local terms energy: -446.854153 where: bonds (distance) C4'-P energy: -89.057 bonds (distance) P-C4' energy: -86.732 flat angles C4'-P-C4' energy: -97.427 flat angles P-C4'-P energy: -59.954 tors. eta vs tors. theta energy: -113.683 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: 8, replica: 1 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1263.128569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.128569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.128569 (E_RNA) where: Base-Base interactions energy: -876.970 where: short stacking energy: -365.508 Base-Backbone interact. energy: -1.094 local terms energy: -385.063934 where: bonds (distance) C4'-P energy: -74.139 bonds (distance) P-C4' energy: -79.089 flat angles C4'-P-C4' energy: -86.866 flat angles P-C4'-P energy: -52.508 tors. eta vs tors. theta energy: -92.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -1055.585623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.585623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.585623 (E_RNA) where: Base-Base interactions energy: -696.039 where: short stacking energy: -317.704 Base-Backbone interact. energy: -1.273 local terms energy: -358.272836 where: bonds (distance) C4'-P energy: -61.217 bonds (distance) P-C4' energy: -91.167 flat angles C4'-P-C4' energy: -85.554 flat angles P-C4'-P energy: -42.722 tors. eta vs tors. theta energy: -77.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -574.218902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.218902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.218902 (E_RNA) where: Base-Base interactions energy: -297.344 where: short stacking energy: -157.600 Base-Backbone interact. energy: -0.156 local terms energy: -276.719207 where: bonds (distance) C4'-P energy: -77.861 bonds (distance) P-C4' energy: -80.528 flat angles C4'-P-C4' energy: -76.098 flat angles P-C4'-P energy: -35.113 tors. eta vs tors. theta energy: -7.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1838.924694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.924694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.924694 (E_RNA) where: Base-Base interactions energy: -1286.321 where: short stacking energy: -532.041 Base-Backbone interact. energy: -0.526 local terms energy: -552.077605 where: bonds (distance) C4'-P energy: -100.807 bonds (distance) P-C4' energy: -93.965 flat angles C4'-P-C4' energy: -102.852 flat angles P-C4'-P energy: -89.662 tors. eta vs tors. theta energy: -164.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1797.395607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.395607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.395607 (E_RNA) where: Base-Base interactions energy: -1244.796 where: short stacking energy: -518.729 Base-Backbone interact. energy: 0.506 local terms energy: -553.105952 where: bonds (distance) C4'-P energy: -94.830 bonds (distance) P-C4' energy: -99.429 flat angles C4'-P-C4' energy: -112.865 flat angles P-C4'-P energy: -81.347 tors. eta vs tors. theta energy: -164.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1727.806829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.806829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.806829 (E_RNA) where: Base-Base interactions energy: -1250.758 where: short stacking energy: -466.773 Base-Backbone interact. energy: -1.861 local terms energy: -475.187822 where: bonds (distance) C4'-P energy: -83.418 bonds (distance) P-C4' energy: -86.234 flat angles C4'-P-C4' energy: -96.243 flat angles P-C4'-P energy: -70.315 tors. eta vs tors. theta energy: -138.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1602.857744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.857744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.857744 (E_RNA) where: Base-Base interactions energy: -1110.448 where: short stacking energy: -452.607 Base-Backbone interact. energy: -3.285 local terms energy: -489.124230 where: bonds (distance) C4'-P energy: -88.213 bonds (distance) P-C4' energy: -101.299 flat angles C4'-P-C4' energy: -94.697 flat angles P-C4'-P energy: -63.668 tors. eta vs tors. theta energy: -141.247 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: 208 Temperature: 1.100000 Total energy: -1527.511290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.511290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.511290 (E_RNA) where: Base-Base interactions energy: -1096.631 where: short stacking energy: -448.851 Base-Backbone interact. energy: 1.828 local terms energy: -432.708595 where: bonds (distance) C4'-P energy: -76.900 bonds (distance) P-C4' energy: -78.784 flat angles C4'-P-C4' energy: -93.795 flat angles P-C4'-P energy: -61.112 tors. eta vs tors. theta energy: -122.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1393.350568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.350568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.350568 (E_RNA) where: Base-Base interactions energy: -939.135 where: short stacking energy: -381.632 Base-Backbone interact. energy: -0.423 local terms energy: -453.792401 where: bonds (distance) C4'-P energy: -90.557 bonds (distance) P-C4' energy: -81.726 flat angles C4'-P-C4' energy: -103.086 flat angles P-C4'-P energy: -65.080 tors. eta vs tors. theta energy: -113.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1348.941057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.941057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.941057 (E_RNA) where: Base-Base interactions energy: -918.814 where: short stacking energy: -403.253 Base-Backbone interact. energy: -1.266 local terms energy: -428.861484 where: bonds (distance) C4'-P energy: -76.270 bonds (distance) P-C4' energy: -87.103 flat angles C4'-P-C4' energy: -90.927 flat angles P-C4'-P energy: -60.459 tors. eta vs tors. theta energy: -114.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1283.919550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.919550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.919550 (E_RNA) where: Base-Base interactions energy: -883.751 where: short stacking energy: -347.538 Base-Backbone interact. energy: -0.945 local terms energy: -399.224297 where: bonds (distance) C4'-P energy: -76.245 bonds (distance) P-C4' energy: -88.818 flat angles C4'-P-C4' energy: -87.099 flat angles P-C4'-P energy: -50.760 tors. eta vs tors. theta energy: -96.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -1006.063328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.063328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.063328 (E_RNA) where: Base-Base interactions energy: -650.951 where: short stacking energy: -264.426 Base-Backbone interact. energy: 7.229 local terms energy: -362.341468 where: bonds (distance) C4'-P energy: -97.904 bonds (distance) P-C4' energy: -79.015 flat angles C4'-P-C4' energy: -88.670 flat angles P-C4'-P energy: -39.251 tors. eta vs tors. theta energy: -57.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -520.488618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.488618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.488618 (E_RNA) where: Base-Base interactions energy: -246.842 where: short stacking energy: -129.693 Base-Backbone interact. energy: 4.591 local terms energy: -278.237907 where: bonds (distance) C4'-P energy: -84.733 bonds (distance) P-C4' energy: -81.597 flat angles C4'-P-C4' energy: -74.694 flat angles P-C4'-P energy: -28.593 tors. eta vs tors. theta energy: -8.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1828.100828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.100828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.100828 (E_RNA) where: Base-Base interactions energy: -1301.897 where: short stacking energy: -531.217 Base-Backbone interact. energy: -1.700 local terms energy: -524.504398 where: bonds (distance) C4'-P energy: -80.981 bonds (distance) P-C4' energy: -99.994 flat angles C4'-P-C4' energy: -113.220 flat angles P-C4'-P energy: -67.604 tors. eta vs tors. theta energy: -162.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1773.333055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.333055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.333055 (E_RNA) where: Base-Base interactions energy: -1221.524 where: short stacking energy: -512.811 Base-Backbone interact. energy: -0.806 local terms energy: -551.002797 where: bonds (distance) C4'-P energy: -91.891 bonds (distance) P-C4' energy: -106.663 flat angles C4'-P-C4' energy: -113.875 flat angles P-C4'-P energy: -75.410 tors. eta vs tors. theta energy: -163.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1736.862679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.862679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.862679 (E_RNA) where: Base-Base interactions energy: -1240.564 where: short stacking energy: -482.782 Base-Backbone interact. energy: 0.144 local terms energy: -496.442665 where: bonds (distance) C4'-P energy: -78.193 bonds (distance) P-C4' energy: -89.011 flat angles C4'-P-C4' energy: -111.182 flat angles P-C4'-P energy: -74.891 tors. eta vs tors. theta energy: -143.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1616.858755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.858755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.858755 (E_RNA) where: Base-Base interactions energy: -1112.272 where: short stacking energy: -454.429 Base-Backbone interact. energy: -1.175 local terms energy: -503.411261 where: bonds (distance) C4'-P energy: -80.547 bonds (distance) P-C4' energy: -96.878 flat angles C4'-P-C4' energy: -108.912 flat angles P-C4'-P energy: -72.522 tors. eta vs tors. theta energy: -144.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1488.798907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.798907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.798907 (E_RNA) where: Base-Base interactions energy: -1050.988 where: short stacking energy: -425.461 Base-Backbone interact. energy: -1.238 local terms energy: -436.573121 where: bonds (distance) C4'-P energy: -74.798 bonds (distance) P-C4' energy: -82.281 flat angles C4'-P-C4' energy: -97.441 flat angles P-C4'-P energy: -61.137 tors. eta vs tors. theta energy: -120.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1393.243503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.243503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.243503 (E_RNA) where: Base-Base interactions energy: -948.219 where: short stacking energy: -401.816 Base-Backbone interact. energy: -1.887 local terms energy: -443.138327 where: bonds (distance) C4'-P energy: -84.542 bonds (distance) P-C4' energy: -74.998 flat angles C4'-P-C4' energy: -110.743 flat angles P-C4'-P energy: -70.779 tors. eta vs tors. theta energy: -102.076 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: 209 Temperature: 1.200000 Total energy: -1352.990248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.990248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.990248 (E_RNA) where: Base-Base interactions energy: -921.818 where: short stacking energy: -376.745 Base-Backbone interact. energy: -0.895 local terms energy: -430.277781 where: bonds (distance) C4'-P energy: -67.523 bonds (distance) P-C4' energy: -94.537 flat angles C4'-P-C4' energy: -95.262 flat angles P-C4'-P energy: -61.647 tors. eta vs tors. theta energy: -111.309 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: 8, replica: 1 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1283.370409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.370409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.370409 (E_RNA) where: Base-Base interactions energy: -875.404 where: short stacking energy: -372.130 Base-Backbone interact. energy: 0.315 local terms energy: -408.281056 where: bonds (distance) C4'-P energy: -78.121 bonds (distance) P-C4' energy: -88.033 flat angles C4'-P-C4' energy: -78.230 flat angles P-C4'-P energy: -59.034 tors. eta vs tors. theta energy: -104.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -1019.850728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.850728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.850728 (E_RNA) where: Base-Base interactions energy: -661.289 where: short stacking energy: -286.070 Base-Backbone interact. energy: -0.848 local terms energy: -357.714627 where: bonds (distance) C4'-P energy: -69.607 bonds (distance) P-C4' energy: -84.378 flat angles C4'-P-C4' energy: -90.361 flat angles P-C4'-P energy: -46.651 tors. eta vs tors. theta energy: -66.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -532.568773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.568773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.568773 (E_RNA) where: Base-Base interactions energy: -287.759 where: short stacking energy: -151.416 Base-Backbone interact. energy: -0.678 local terms energy: -244.131684 where: bonds (distance) C4'-P energy: -66.485 bonds (distance) P-C4' energy: -73.148 flat angles C4'-P-C4' energy: -67.537 flat angles P-C4'-P energy: -37.674 tors. eta vs tors. theta energy: 0.713 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: 1, replica: 3 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1831.452751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.452751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.452751 (E_RNA) where: Base-Base interactions energy: -1300.735 where: short stacking energy: -529.578 Base-Backbone interact. energy: -1.683 local terms energy: -529.034832 where: bonds (distance) C4'-P energy: -98.184 bonds (distance) P-C4' energy: -90.861 flat angles C4'-P-C4' energy: -106.067 flat angles P-C4'-P energy: -80.541 tors. eta vs tors. theta energy: -153.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1778.403767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.403767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.403767 (E_RNA) where: Base-Base interactions energy: -1226.435 where: short stacking energy: -526.189 Base-Backbone interact. energy: -0.947 local terms energy: -551.021647 where: bonds (distance) C4'-P energy: -98.937 bonds (distance) P-C4' energy: -97.118 flat angles C4'-P-C4' energy: -113.420 flat angles P-C4'-P energy: -79.192 tors. eta vs tors. theta energy: -162.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1735.770292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.770292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.770292 (E_RNA) where: Base-Base interactions energy: -1235.113 where: short stacking energy: -487.858 Base-Backbone interact. energy: -1.606 local terms energy: -499.051056 where: bonds (distance) C4'-P energy: -81.495 bonds (distance) P-C4' energy: -98.456 flat angles C4'-P-C4' energy: -110.428 flat angles P-C4'-P energy: -69.691 tors. eta vs tors. theta energy: -138.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1601.621578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.621578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.621578 (E_RNA) where: Base-Base interactions energy: -1103.926 where: short stacking energy: -436.322 Base-Backbone interact. energy: -1.128 local terms energy: -496.567502 where: bonds (distance) C4'-P energy: -84.367 bonds (distance) P-C4' energy: -92.380 flat angles C4'-P-C4' energy: -103.861 flat angles P-C4'-P energy: -70.859 tors. eta vs tors. theta energy: -145.101 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: 210 Temperature: 1.100000 Total energy: -1537.623253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.623253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.623253 (E_RNA) where: Base-Base interactions energy: -1087.532 where: short stacking energy: -440.500 Base-Backbone interact. energy: -0.907 local terms energy: -449.184197 where: bonds (distance) C4'-P energy: -92.625 bonds (distance) P-C4' energy: -75.145 flat angles C4'-P-C4' energy: -96.696 flat angles P-C4'-P energy: -55.619 tors. eta vs tors. theta energy: -129.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1402.783633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.783633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.783633 (E_RNA) where: Base-Base interactions energy: -964.166 where: short stacking energy: -403.544 Base-Backbone interact. energy: -1.205 local terms energy: -437.412735 where: bonds (distance) C4'-P energy: -73.272 bonds (distance) P-C4' energy: -82.631 flat angles C4'-P-C4' energy: -107.878 flat angles P-C4'-P energy: -59.260 tors. eta vs tors. theta energy: -114.371 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: 5 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1375.507240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.507240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.507240 (E_RNA) where: Base-Base interactions energy: -970.405 where: short stacking energy: -385.966 Base-Backbone interact. energy: -1.471 local terms energy: -403.631739 where: bonds (distance) C4'-P energy: -77.467 bonds (distance) P-C4' energy: -74.820 flat angles C4'-P-C4' energy: -95.233 flat angles P-C4'-P energy: -48.824 tors. eta vs tors. theta energy: -107.288 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: 210 Temperature: 1.250000 Total energy: -1276.502589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.502589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.502589 (E_RNA) where: Base-Base interactions energy: -885.353 where: short stacking energy: -365.146 Base-Backbone interact. energy: -0.512 local terms energy: -390.637502 where: bonds (distance) C4'-P energy: -63.725 bonds (distance) P-C4' energy: -73.336 flat angles C4'-P-C4' energy: -92.933 flat angles P-C4'-P energy: -63.632 tors. eta vs tors. theta energy: -97.012 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: 9, replica: 9 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1061.117850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.117850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.117850 (E_RNA) where: Base-Base interactions energy: -702.376 where: short stacking energy: -303.143 Base-Backbone interact. energy: -1.666 local terms energy: -357.075863 where: bonds (distance) C4'-P energy: -89.257 bonds (distance) P-C4' energy: -81.783 flat angles C4'-P-C4' energy: -78.460 flat angles P-C4'-P energy: -44.780 tors. eta vs tors. theta energy: -62.797 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: 10 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -564.707260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.707260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.707260 (E_RNA) where: Base-Base interactions energy: -293.428 where: short stacking energy: -145.097 Base-Backbone interact. energy: 1.371 local terms energy: -272.650008 where: bonds (distance) C4'-P energy: -85.608 bonds (distance) P-C4' energy: -80.237 flat angles C4'-P-C4' energy: -70.427 flat angles P-C4'-P energy: -39.473 tors. eta vs tors. theta energy: 3.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1844.808921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.808921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.808921 (E_RNA) where: Base-Base interactions energy: -1284.225 where: short stacking energy: -522.862 Base-Backbone interact. energy: -0.697 local terms energy: -559.887356 where: bonds (distance) C4'-P energy: -97.223 bonds (distance) P-C4' energy: -99.891 flat angles C4'-P-C4' energy: -118.357 flat angles P-C4'-P energy: -84.058 tors. eta vs tors. theta energy: -160.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1801.688086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.688086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.688086 (E_RNA) where: Base-Base interactions energy: -1255.038 where: short stacking energy: -522.348 Base-Backbone interact. energy: -0.869 local terms energy: -545.780698 where: bonds (distance) C4'-P energy: -102.694 bonds (distance) P-C4' energy: -89.751 flat angles C4'-P-C4' energy: -119.539 flat angles P-C4'-P energy: -68.923 tors. eta vs tors. theta energy: -164.874 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: 2 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1746.429697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.429697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.429697 (E_RNA) where: Base-Base interactions energy: -1222.770 where: short stacking energy: -477.271 Base-Backbone interact. energy: -2.926 local terms energy: -520.733852 where: bonds (distance) C4'-P energy: -98.877 bonds (distance) P-C4' energy: -100.454 flat angles C4'-P-C4' energy: -104.382 flat angles P-C4'-P energy: -80.139 tors. eta vs tors. theta energy: -136.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1599.405946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.405946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.405946 (E_RNA) where: Base-Base interactions energy: -1086.622 where: short stacking energy: -440.720 Base-Backbone interact. energy: -1.064 local terms energy: -511.719881 where: bonds (distance) C4'-P energy: -100.813 bonds (distance) P-C4' energy: -95.887 flat angles C4'-P-C4' energy: -109.784 flat angles P-C4'-P energy: -65.551 tors. eta vs tors. theta energy: -139.685 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: 5, replica: 4 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1482.831844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.831844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.831844 (E_RNA) where: Base-Base interactions energy: -1046.369 where: short stacking energy: -422.463 Base-Backbone interact. energy: -1.845 local terms energy: -434.617848 where: bonds (distance) C4'-P energy: -70.578 bonds (distance) P-C4' energy: -90.682 flat angles C4'-P-C4' energy: -95.060 flat angles P-C4'-P energy: -55.322 tors. eta vs tors. theta energy: -122.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1429.956845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.956845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.956845 (E_RNA) where: Base-Base interactions energy: -982.179 where: short stacking energy: -398.998 Base-Backbone interact. energy: -1.697 local terms energy: -446.080504 where: bonds (distance) C4'-P energy: -86.739 bonds (distance) P-C4' energy: -94.163 flat angles C4'-P-C4' energy: -96.446 flat angles P-C4'-P energy: -51.136 tors. eta vs tors. theta energy: -117.596 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: 5 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1337.260756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.260756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.260756 (E_RNA) where: Base-Base interactions energy: -907.470 where: short stacking energy: -387.395 Base-Backbone interact. energy: 1.485 local terms energy: -431.275948 where: bonds (distance) C4'-P energy: -84.034 bonds (distance) P-C4' energy: -74.327 flat angles C4'-P-C4' energy: -100.733 flat angles P-C4'-P energy: -66.820 tors. eta vs tors. theta energy: -105.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1255.820516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.820516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.820516 (E_RNA) where: Base-Base interactions energy: -856.563 where: short stacking energy: -363.173 Base-Backbone interact. energy: -0.209 local terms energy: -399.049234 where: bonds (distance) C4'-P energy: -81.784 bonds (distance) P-C4' energy: -78.203 flat angles C4'-P-C4' energy: -77.747 flat angles P-C4'-P energy: -68.348 tors. eta vs tors. theta energy: -92.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -991.001950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.001950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.001950 (E_RNA) where: Base-Base interactions energy: -654.599 where: short stacking energy: -281.982 Base-Backbone interact. energy: 0.543 local terms energy: -336.946190 where: bonds (distance) C4'-P energy: -73.259 bonds (distance) P-C4' energy: -70.365 flat angles C4'-P-C4' energy: -77.880 flat angles P-C4'-P energy: -52.837 tors. eta vs tors. theta energy: -62.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -561.009125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.009125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.009125 (E_RNA) where: Base-Base interactions energy: -285.851 where: short stacking energy: -149.988 Base-Backbone interact. energy: 7.007 local terms energy: -282.164463 where: bonds (distance) C4'-P energy: -85.945 bonds (distance) P-C4' energy: -70.913 flat angles C4'-P-C4' energy: -76.436 flat angles P-C4'-P energy: -43.833 tors. eta vs tors. theta energy: -5.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1842.363083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.363083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.363083 (E_RNA) where: Base-Base interactions energy: -1283.684 where: short stacking energy: -511.969 Base-Backbone interact. energy: -0.943 local terms energy: -557.735610 where: bonds (distance) C4'-P energy: -98.297 bonds (distance) P-C4' energy: -99.434 flat angles C4'-P-C4' energy: -117.843 flat angles P-C4'-P energy: -82.933 tors. eta vs tors. theta energy: -159.229 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: 8 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1787.565590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.565590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.565590 (E_RNA) where: Base-Base interactions energy: -1255.420 where: short stacking energy: -515.187 Base-Backbone interact. energy: -2.213 local terms energy: -529.932645 where: bonds (distance) C4'-P energy: -95.517 bonds (distance) P-C4' energy: -95.366 flat angles C4'-P-C4' energy: -102.927 flat angles P-C4'-P energy: -71.900 tors. eta vs tors. theta energy: -164.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1731.005211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.005211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.005211 (E_RNA) where: Base-Base interactions energy: -1221.726 where: short stacking energy: -498.709 Base-Backbone interact. energy: -2.100 local terms energy: -507.178636 where: bonds (distance) C4'-P energy: -101.092 bonds (distance) P-C4' energy: -85.309 flat angles C4'-P-C4' energy: -101.376 flat angles P-C4'-P energy: -72.752 tors. eta vs tors. theta energy: -146.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1603.162367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.162367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.162367 (E_RNA) where: Base-Base interactions energy: -1132.161 where: short stacking energy: -465.937 Base-Backbone interact. energy: 8.530 local terms energy: -479.530940 where: bonds (distance) C4'-P energy: -84.943 bonds (distance) P-C4' energy: -86.645 flat angles C4'-P-C4' energy: -104.336 flat angles P-C4'-P energy: -55.393 tors. eta vs tors. theta energy: -148.213 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: 4 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1512.118612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.118612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.118612 (E_RNA) where: Base-Base interactions energy: -1038.379 where: short stacking energy: -406.048 Base-Backbone interact. energy: -1.309 local terms energy: -472.430331 where: bonds (distance) C4'-P energy: -77.918 bonds (distance) P-C4' energy: -91.969 flat angles C4'-P-C4' energy: -102.957 flat angles P-C4'-P energy: -70.758 tors. eta vs tors. theta energy: -128.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1445.312530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.312530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.312530 (E_RNA) where: Base-Base interactions energy: -1000.466 where: short stacking energy: -416.088 Base-Backbone interact. energy: -1.556 local terms energy: -443.290763 where: bonds (distance) C4'-P energy: -79.087 bonds (distance) P-C4' energy: -85.354 flat angles C4'-P-C4' energy: -105.427 flat angles P-C4'-P energy: -61.255 tors. eta vs tors. theta energy: -112.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1294.204252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.204252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.204252 (E_RNA) where: Base-Base interactions energy: -877.735 where: short stacking energy: -357.713 Base-Backbone interact. energy: -0.271 local terms energy: -416.198622 where: bonds (distance) C4'-P energy: -85.307 bonds (distance) P-C4' energy: -78.344 flat angles C4'-P-C4' energy: -90.906 flat angles P-C4'-P energy: -53.331 tors. eta vs tors. theta energy: -108.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1267.938816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.938816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.938816 (E_RNA) where: Base-Base interactions energy: -867.446 where: short stacking energy: -357.569 Base-Backbone interact. energy: 2.754 local terms energy: -403.246861 where: bonds (distance) C4'-P energy: -90.492 bonds (distance) P-C4' energy: -79.532 flat angles C4'-P-C4' energy: -83.897 flat angles P-C4'-P energy: -57.633 tors. eta vs tors. theta energy: -91.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -1005.336170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.336170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.336170 (E_RNA) where: Base-Base interactions energy: -664.532 where: short stacking energy: -267.130 Base-Backbone interact. energy: 1.775 local terms energy: -342.579112 where: bonds (distance) C4'-P energy: -81.219 bonds (distance) P-C4' energy: -83.443 flat angles C4'-P-C4' energy: -72.659 flat angles P-C4'-P energy: -48.969 tors. eta vs tors. theta energy: -56.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -514.108825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.108825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.108825 (E_RNA) where: Base-Base interactions energy: -279.458 where: short stacking energy: -161.476 Base-Backbone interact. energy: -1.092 local terms energy: -233.559270 where: bonds (distance) C4'-P energy: -66.553 bonds (distance) P-C4' energy: -66.800 flat angles C4'-P-C4' energy: -71.478 flat angles P-C4'-P energy: -29.489 tors. eta vs tors. theta energy: 0.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1848.436594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.436594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.436594 (E_RNA) where: Base-Base interactions energy: -1282.592 where: short stacking energy: -510.291 Base-Backbone interact. energy: -1.216 local terms energy: -564.628742 where: bonds (distance) C4'-P energy: -98.396 bonds (distance) P-C4' energy: -106.042 flat angles C4'-P-C4' energy: -116.423 flat angles P-C4'-P energy: -79.686 tors. eta vs tors. theta energy: -164.082 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: 8 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1779.214849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.214849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.214849 (E_RNA) where: Base-Base interactions energy: -1217.661 where: short stacking energy: -532.039 Base-Backbone interact. energy: -1.009 local terms energy: -560.544791 where: bonds (distance) C4'-P energy: -97.712 bonds (distance) P-C4' energy: -99.272 flat angles C4'-P-C4' energy: -110.950 flat angles P-C4'-P energy: -83.642 tors. eta vs tors. theta energy: -168.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1718.658950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.658950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.658950 (E_RNA) where: Base-Base interactions energy: -1198.198 where: short stacking energy: -472.430 Base-Backbone interact. energy: -1.956 local terms energy: -518.505354 where: bonds (distance) C4'-P energy: -87.767 bonds (distance) P-C4' energy: -92.744 flat angles C4'-P-C4' energy: -114.783 flat angles P-C4'-P energy: -76.921 tors. eta vs tors. theta energy: -146.291 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: 4 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1561.469558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.469558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.469558 (E_RNA) where: Base-Base interactions energy: -1108.966 where: short stacking energy: -457.339 Base-Backbone interact. energy: -0.561 local terms energy: -451.942680 where: bonds (distance) C4'-P energy: -92.167 bonds (distance) P-C4' energy: -76.422 flat angles C4'-P-C4' energy: -91.239 flat angles P-C4'-P energy: -53.973 tors. eta vs tors. theta energy: -138.142 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: 7 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1554.286364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.286364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.286364 (E_RNA) where: Base-Base interactions energy: -1096.431 where: short stacking energy: -441.087 Base-Backbone interact. energy: -1.715 local terms energy: -456.140359 where: bonds (distance) C4'-P energy: -79.755 bonds (distance) P-C4' energy: -79.331 flat angles C4'-P-C4' energy: -102.012 flat angles P-C4'-P energy: -56.782 tors. eta vs tors. theta energy: -138.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1468.088598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.088598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.088598 (E_RNA) where: Base-Base interactions energy: -1017.589 where: short stacking energy: -435.463 Base-Backbone interact. energy: -2.619 local terms energy: -447.880417 where: bonds (distance) C4'-P energy: -72.498 bonds (distance) P-C4' energy: -90.498 flat angles C4'-P-C4' energy: -90.915 flat angles P-C4'-P energy: -65.993 tors. eta vs tors. theta energy: -127.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1293.025069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.025069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.025069 (E_RNA) where: Base-Base interactions energy: -881.522 where: short stacking energy: -372.078 Base-Backbone interact. energy: -1.230 local terms energy: -410.272405 where: bonds (distance) C4'-P energy: -75.409 bonds (distance) P-C4' energy: -89.427 flat angles C4'-P-C4' energy: -88.289 flat angles P-C4'-P energy: -63.806 tors. eta vs tors. theta energy: -93.342 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: 1 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1261.345934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.345934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.345934 (E_RNA) where: Base-Base interactions energy: -855.315 where: short stacking energy: -354.752 Base-Backbone interact. energy: 0.043 local terms energy: -406.074349 where: bonds (distance) C4'-P energy: -79.433 bonds (distance) P-C4' energy: -74.215 flat angles C4'-P-C4' energy: -97.241 flat angles P-C4'-P energy: -65.368 tors. eta vs tors. theta energy: -89.817 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: 9, replica: 9 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1047.508397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.508397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.508397 (E_RNA) where: Base-Base interactions energy: -695.595 where: short stacking energy: -313.527 Base-Backbone interact. energy: 1.962 local terms energy: -353.874748 where: bonds (distance) C4'-P energy: -83.912 bonds (distance) P-C4' energy: -69.187 flat angles C4'-P-C4' energy: -72.476 flat angles P-C4'-P energy: -51.708 tors. eta vs tors. theta energy: -76.592 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: 10 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -528.442990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.442990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.442990 (E_RNA) where: Base-Base interactions energy: -282.601 where: short stacking energy: -104.512 Base-Backbone interact. energy: -0.653 local terms energy: -245.188347 where: bonds (distance) C4'-P energy: -65.592 bonds (distance) P-C4' energy: -74.171 flat angles C4'-P-C4' energy: -61.252 flat angles P-C4'-P energy: -45.299 tors. eta vs tors. theta energy: 1.125 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: 1, replica: 8 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1823.935669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.935669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.935669 (E_RNA) where: Base-Base interactions energy: -1274.490 where: short stacking energy: -538.423 Base-Backbone interact. energy: -0.671 local terms energy: -548.774680 where: bonds (distance) C4'-P energy: -96.433 bonds (distance) P-C4' energy: -97.667 flat angles C4'-P-C4' energy: -112.266 flat angles P-C4'-P energy: -77.435 tors. eta vs tors. theta energy: -164.974 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: 2, replica: 3 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1793.731722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.731722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.731722 (E_RNA) where: Base-Base interactions energy: -1256.191 where: short stacking energy: -509.985 Base-Backbone interact. energy: -1.301 local terms energy: -536.239507 where: bonds (distance) C4'-P energy: -89.424 bonds (distance) P-C4' energy: -108.560 flat angles C4'-P-C4' energy: -112.888 flat angles P-C4'-P energy: -67.755 tors. eta vs tors. theta energy: -157.613 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: 2 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1699.804576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.804576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.804576 (E_RNA) where: Base-Base interactions energy: -1202.959 where: short stacking energy: -468.961 Base-Backbone interact. energy: -0.822 local terms energy: -496.023365 where: bonds (distance) C4'-P energy: -92.816 bonds (distance) P-C4' energy: -95.914 flat angles C4'-P-C4' energy: -99.550 flat angles P-C4'-P energy: -72.723 tors. eta vs tors. theta energy: -135.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1569.885061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.885061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.885061 (E_RNA) where: Base-Base interactions energy: -1076.383 where: short stacking energy: -443.484 Base-Backbone interact. energy: 0.337 local terms energy: -493.838830 where: bonds (distance) C4'-P energy: -86.694 bonds (distance) P-C4' energy: -90.404 flat angles C4'-P-C4' energy: -111.623 flat angles P-C4'-P energy: -70.906 tors. eta vs tors. theta energy: -134.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1551.441127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.441127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.441127 (E_RNA) where: Base-Base interactions energy: -1064.560 where: short stacking energy: -436.301 Base-Backbone interact. energy: -0.694 local terms energy: -486.186826 where: bonds (distance) C4'-P energy: -89.647 bonds (distance) P-C4' energy: -98.618 flat angles C4'-P-C4' energy: -99.717 flat angles P-C4'-P energy: -65.778 tors. eta vs tors. theta energy: -132.427 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: 6 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1448.650490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.650490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.650490 (E_RNA) where: Base-Base interactions energy: -976.994 where: short stacking energy: -403.566 Base-Backbone interact. energy: 0.851 local terms energy: -472.507490 where: bonds (distance) C4'-P energy: -89.153 bonds (distance) P-C4' energy: -93.904 flat angles C4'-P-C4' energy: -110.944 flat angles P-C4'-P energy: -68.167 tors. eta vs tors. theta energy: -110.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1310.613462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.613462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.613462 (E_RNA) where: Base-Base interactions energy: -868.912 where: short stacking energy: -381.551 Base-Backbone interact. energy: -1.438 local terms energy: -440.262971 where: bonds (distance) C4'-P energy: -85.252 bonds (distance) P-C4' energy: -84.588 flat angles C4'-P-C4' energy: -95.917 flat angles P-C4'-P energy: -65.703 tors. eta vs tors. theta energy: -108.804 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: 5 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1290.746132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.746132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.746132 (E_RNA) where: Base-Base interactions energy: -889.839 where: short stacking energy: -368.809 Base-Backbone interact. energy: 2.587 local terms energy: -403.494155 where: bonds (distance) C4'-P energy: -57.912 bonds (distance) P-C4' energy: -86.404 flat angles C4'-P-C4' energy: -92.295 flat angles P-C4'-P energy: -56.372 tors. eta vs tors. theta energy: -110.511 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: 9 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -1052.610128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.610128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.610128 (E_RNA) where: Base-Base interactions energy: -710.673 where: short stacking energy: -302.451 Base-Backbone interact. energy: -3.366 local terms energy: -338.571448 where: bonds (distance) C4'-P energy: -60.811 bonds (distance) P-C4' energy: -72.546 flat angles C4'-P-C4' energy: -78.311 flat angles P-C4'-P energy: -53.255 tors. eta vs tors. theta energy: -73.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -581.514283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.514283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.514283 (E_RNA) where: Base-Base interactions energy: -288.377 where: short stacking energy: -147.498 Base-Backbone interact. energy: -1.361 local terms energy: -291.776466 where: bonds (distance) C4'-P energy: -75.787 bonds (distance) P-C4' energy: -84.226 flat angles C4'-P-C4' energy: -72.339 flat angles P-C4'-P energy: -53.887 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: 1, replica: 8 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1825.845340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.845340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.845340 (E_RNA) where: Base-Base interactions energy: -1266.110 where: short stacking energy: -531.531 Base-Backbone interact. energy: -0.701 local terms energy: -559.034008 where: bonds (distance) C4'-P energy: -96.641 bonds (distance) P-C4' energy: -93.212 flat angles C4'-P-C4' energy: -114.293 flat angles P-C4'-P energy: -81.752 tors. eta vs tors. theta energy: -173.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1797.936879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.936879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.936879 (E_RNA) where: Base-Base interactions energy: -1266.108 where: short stacking energy: -505.613 Base-Backbone interact. energy: -1.020 local terms energy: -530.809561 where: bonds (distance) C4'-P energy: -83.757 bonds (distance) P-C4' energy: -97.624 flat angles C4'-P-C4' energy: -111.048 flat angles P-C4'-P energy: -78.837 tors. eta vs tors. theta energy: -159.544 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: 2 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1677.535932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.535932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.535932 (E_RNA) where: Base-Base interactions energy: -1188.322 where: short stacking energy: -476.533 Base-Backbone interact. energy: -2.291 local terms energy: -486.922771 where: bonds (distance) C4'-P energy: -82.037 bonds (distance) P-C4' energy: -93.805 flat angles C4'-P-C4' energy: -95.701 flat angles P-C4'-P energy: -64.853 tors. eta vs tors. theta energy: -150.527 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: 4 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1564.921334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.921334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.921334 (E_RNA) where: Base-Base interactions energy: -1092.126 where: short stacking energy: -430.244 Base-Backbone interact. energy: -0.582 local terms energy: -472.212897 where: bonds (distance) C4'-P energy: -92.555 bonds (distance) P-C4' energy: -92.218 flat angles C4'-P-C4' energy: -91.669 flat angles P-C4'-P energy: -61.521 tors. eta vs tors. theta energy: -134.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1538.607696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.607696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.607696 (E_RNA) where: Base-Base interactions energy: -1054.625 where: short stacking energy: -416.931 Base-Backbone interact. energy: 0.316 local terms energy: -484.298543 where: bonds (distance) C4'-P energy: -95.799 bonds (distance) P-C4' energy: -87.494 flat angles C4'-P-C4' energy: -109.703 flat angles P-C4'-P energy: -67.346 tors. eta vs tors. theta energy: -123.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1489.129453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.129453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.129453 (E_RNA) where: Base-Base interactions energy: -1027.132 where: short stacking energy: -434.833 Base-Backbone interact. energy: -0.381 local terms energy: -461.616485 where: bonds (distance) C4'-P energy: -84.736 bonds (distance) P-C4' energy: -84.852 flat angles C4'-P-C4' energy: -92.430 flat angles P-C4'-P energy: -66.676 tors. eta vs tors. theta energy: -132.922 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: 7, replica: 1 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1290.429953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.429953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.429953 (E_RNA) where: Base-Base interactions energy: -853.325 where: short stacking energy: -336.928 Base-Backbone interact. energy: -0.922 local terms energy: -436.182326 where: bonds (distance) C4'-P energy: -92.948 bonds (distance) P-C4' energy: -85.387 flat angles C4'-P-C4' energy: -86.205 flat angles P-C4'-P energy: -61.656 tors. eta vs tors. theta energy: -109.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1260.281154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.281154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.281154 (E_RNA) where: Base-Base interactions energy: -863.592 where: short stacking energy: -351.169 Base-Backbone interact. energy: -1.452 local terms energy: -395.236746 where: bonds (distance) C4'-P energy: -67.681 bonds (distance) P-C4' energy: -91.352 flat angles C4'-P-C4' energy: -92.046 flat angles P-C4'-P energy: -54.235 tors. eta vs tors. theta energy: -89.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -1019.788532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.788532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.788532 (E_RNA) where: Base-Base interactions energy: -661.849 where: short stacking energy: -289.780 Base-Backbone interact. energy: 1.285 local terms energy: -359.224629 where: bonds (distance) C4'-P energy: -88.069 bonds (distance) P-C4' energy: -57.136 flat angles C4'-P-C4' energy: -89.790 flat angles P-C4'-P energy: -46.745 tors. eta vs tors. theta energy: -77.485 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: 10 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -570.868388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.868388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.868388 (E_RNA) where: Base-Base interactions energy: -321.944 where: short stacking energy: -167.046 Base-Backbone interact. energy: 5.753 local terms energy: -254.677851 where: bonds (distance) C4'-P energy: -79.241 bonds (distance) P-C4' energy: -62.376 flat angles C4'-P-C4' energy: -74.880 flat angles P-C4'-P energy: -31.633 tors. eta vs tors. theta energy: -6.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1822.602128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.602128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.602128 (E_RNA) where: Base-Base interactions energy: -1286.540 where: short stacking energy: -512.372 Base-Backbone interact. energy: -1.677 local terms energy: -534.385723 where: bonds (distance) C4'-P energy: -88.868 bonds (distance) P-C4' energy: -98.058 flat angles C4'-P-C4' energy: -111.493 flat angles P-C4'-P energy: -74.210 tors. eta vs tors. theta energy: -161.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1793.716346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.716346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.716346 (E_RNA) where: Base-Base interactions energy: -1264.354 where: short stacking energy: -518.317 Base-Backbone interact. energy: -1.059 local terms energy: -528.303133 where: bonds (distance) C4'-P energy: -84.939 bonds (distance) P-C4' energy: -102.281 flat angles C4'-P-C4' energy: -101.499 flat angles P-C4'-P energy: -82.363 tors. eta vs tors. theta energy: -157.221 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: 3, replica: 2 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1733.711368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.711368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.711368 (E_RNA) where: Base-Base interactions energy: -1227.727 where: short stacking energy: -501.675 Base-Backbone interact. energy: 0.794 local terms energy: -506.778091 where: bonds (distance) C4'-P energy: -90.008 bonds (distance) P-C4' energy: -86.511 flat angles C4'-P-C4' energy: -102.046 flat angles P-C4'-P energy: -74.149 tors. eta vs tors. theta energy: -154.064 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: 4 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1572.026105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.026105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.026105 (E_RNA) where: Base-Base interactions energy: -1103.055 where: short stacking energy: -442.165 Base-Backbone interact. energy: 1.065 local terms energy: -470.035673 where: bonds (distance) C4'-P energy: -85.010 bonds (distance) P-C4' energy: -90.592 flat angles C4'-P-C4' energy: -101.422 flat angles P-C4'-P energy: -59.396 tors. eta vs tors. theta energy: -133.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1544.781332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.781332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.781332 (E_RNA) where: Base-Base interactions energy: -1077.076 where: short stacking energy: -427.515 Base-Backbone interact. energy: 1.326 local terms energy: -469.031423 where: bonds (distance) C4'-P energy: -90.035 bonds (distance) P-C4' energy: -81.312 flat angles C4'-P-C4' energy: -111.953 flat angles P-C4'-P energy: -50.836 tors. eta vs tors. theta energy: -134.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1485.540288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.540288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.540288 (E_RNA) where: Base-Base interactions energy: -1039.846 where: short stacking energy: -429.947 Base-Backbone interact. energy: 4.174 local terms energy: -449.867596 where: bonds (distance) C4'-P energy: -72.713 bonds (distance) P-C4' energy: -84.436 flat angles C4'-P-C4' energy: -98.525 flat angles P-C4'-P energy: -65.542 tors. eta vs tors. theta energy: -128.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1273.648457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.648457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.648457 (E_RNA) where: Base-Base interactions energy: -870.502 where: short stacking energy: -356.515 Base-Backbone interact. energy: -1.819 local terms energy: -401.327250 where: bonds (distance) C4'-P energy: -84.989 bonds (distance) P-C4' energy: -77.510 flat angles C4'-P-C4' energy: -93.926 flat angles P-C4'-P energy: -48.552 tors. eta vs tors. theta energy: -96.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1249.268697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.268697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.268697 (E_RNA) where: Base-Base interactions energy: -879.436 where: short stacking energy: -361.240 Base-Backbone interact. energy: -3.137 local terms energy: -366.695431 where: bonds (distance) C4'-P energy: -63.652 bonds (distance) P-C4' energy: -74.212 flat angles C4'-P-C4' energy: -91.818 flat angles P-C4'-P energy: -47.890 tors. eta vs tors. theta energy: -89.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -1014.287947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.287947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.287947 (E_RNA) where: Base-Base interactions energy: -653.591 where: short stacking energy: -279.852 Base-Backbone interact. energy: -0.728 local terms energy: -359.968885 where: bonds (distance) C4'-P energy: -78.440 bonds (distance) P-C4' energy: -78.899 flat angles C4'-P-C4' energy: -94.236 flat angles P-C4'-P energy: -41.266 tors. eta vs tors. theta energy: -67.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -635.281023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.281023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.281023 (E_RNA) where: Base-Base interactions energy: -349.379 where: short stacking energy: -160.265 Base-Backbone interact. energy: -1.628 local terms energy: -284.273921 where: bonds (distance) C4'-P energy: -74.374 bonds (distance) P-C4' energy: -81.401 flat angles C4'-P-C4' energy: -65.419 flat angles P-C4'-P energy: -46.377 tors. eta vs tors. theta energy: -16.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1808.694739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.694739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.694739 (E_RNA) where: Base-Base interactions energy: -1271.364 where: short stacking energy: -519.861 Base-Backbone interact. energy: 0.996 local terms energy: -538.326862 where: bonds (distance) C4'-P energy: -102.980 bonds (distance) P-C4' energy: -97.706 flat angles C4'-P-C4' energy: -109.093 flat angles P-C4'-P energy: -78.001 tors. eta vs tors. theta energy: -150.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1779.066720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.066720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.066720 (E_RNA) where: Base-Base interactions energy: -1251.084 where: short stacking energy: -516.127 Base-Backbone interact. energy: -1.340 local terms energy: -526.643385 where: bonds (distance) C4'-P energy: -93.027 bonds (distance) P-C4' energy: -84.222 flat angles C4'-P-C4' energy: -111.742 flat angles P-C4'-P energy: -77.664 tors. eta vs tors. theta energy: -159.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1689.573116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.573116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.573116 (E_RNA) where: Base-Base interactions energy: -1171.232 where: short stacking energy: -496.122 Base-Backbone interact. energy: -2.668 local terms energy: -515.672181 where: bonds (distance) C4'-P energy: -86.163 bonds (distance) P-C4' energy: -90.556 flat angles C4'-P-C4' energy: -108.956 flat angles P-C4'-P energy: -76.409 tors. eta vs tors. theta energy: -153.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1553.257213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.257213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.257213 (E_RNA) where: Base-Base interactions energy: -1054.764 where: short stacking energy: -431.538 Base-Backbone interact. energy: 1.457 local terms energy: -499.950155 where: bonds (distance) C4'-P energy: -90.480 bonds (distance) P-C4' energy: -100.696 flat angles C4'-P-C4' energy: -111.344 flat angles P-C4'-P energy: -61.905 tors. eta vs tors. theta energy: -135.526 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: 7 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1575.845410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.845410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.845410 (E_RNA) where: Base-Base interactions energy: -1088.595 where: short stacking energy: -445.815 Base-Backbone interact. energy: -2.061 local terms energy: -485.189723 where: bonds (distance) C4'-P energy: -93.525 bonds (distance) P-C4' energy: -88.452 flat angles C4'-P-C4' energy: -102.338 flat angles P-C4'-P energy: -69.417 tors. eta vs tors. theta energy: -131.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1384.378324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.378324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.378324 (E_RNA) where: Base-Base interactions energy: -971.396 where: short stacking energy: -397.049 Base-Backbone interact. energy: -2.191 local terms energy: -410.790866 where: bonds (distance) C4'-P energy: -74.101 bonds (distance) P-C4' energy: -83.436 flat angles C4'-P-C4' energy: -80.777 flat angles P-C4'-P energy: -60.138 tors. eta vs tors. theta energy: -112.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1371.785774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.785774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.785774 (E_RNA) where: Base-Base interactions energy: -949.162 where: short stacking energy: -389.856 Base-Backbone interact. energy: -1.238 local terms energy: -421.385371 where: bonds (distance) C4'-P energy: -77.169 bonds (distance) P-C4' energy: -86.777 flat angles C4'-P-C4' energy: -83.678 flat angles P-C4'-P energy: -66.182 tors. eta vs tors. theta energy: -107.579 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: 8, replica: 5 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1265.114041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.114041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.114041 (E_RNA) where: Base-Base interactions energy: -862.982 where: short stacking energy: -373.710 Base-Backbone interact. energy: 0.634 local terms energy: -402.765935 where: bonds (distance) C4'-P energy: -68.029 bonds (distance) P-C4' energy: -68.687 flat angles C4'-P-C4' energy: -91.627 flat angles P-C4'-P energy: -63.352 tors. eta vs tors. theta energy: -111.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -1025.049485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.049485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.049485 (E_RNA) where: Base-Base interactions energy: -695.754 where: short stacking energy: -289.884 Base-Backbone interact. energy: -0.601 local terms energy: -328.694576 where: bonds (distance) C4'-P energy: -72.235 bonds (distance) P-C4' energy: -70.042 flat angles C4'-P-C4' energy: -85.380 flat angles P-C4'-P energy: -36.452 tors. eta vs tors. theta energy: -64.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -654.099957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.099957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.099957 (E_RNA) where: Base-Base interactions energy: -350.275 where: short stacking energy: -189.960 Base-Backbone interact. energy: -0.882 local terms energy: -302.943183 where: bonds (distance) C4'-P energy: -83.653 bonds (distance) P-C4' energy: -76.550 flat angles C4'-P-C4' energy: -59.743 flat angles P-C4'-P energy: -49.549 tors. eta vs tors. theta energy: -33.450 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: 3 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1793.108611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.108611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.108611 (E_RNA) where: Base-Base interactions energy: -1235.818 where: short stacking energy: -504.654 Base-Backbone interact. energy: -0.551 local terms energy: -556.738871 where: bonds (distance) C4'-P energy: -96.924 bonds (distance) P-C4' energy: -109.104 flat angles C4'-P-C4' energy: -118.718 flat angles P-C4'-P energy: -80.114 tors. eta vs tors. theta energy: -151.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1784.481882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.481882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.481882 (E_RNA) where: Base-Base interactions energy: -1240.724 where: short stacking energy: -510.791 Base-Backbone interact. energy: 0.843 local terms energy: -544.600741 where: bonds (distance) C4'-P energy: -90.375 bonds (distance) P-C4' energy: -101.718 flat angles C4'-P-C4' energy: -117.190 flat angles P-C4'-P energy: -77.203 tors. eta vs tors. theta energy: -158.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1666.994658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.994658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.994658 (E_RNA) where: Base-Base interactions energy: -1167.895 where: short stacking energy: -478.593 Base-Backbone interact. energy: 1.261 local terms energy: -500.360197 where: bonds (distance) C4'-P energy: -88.913 bonds (distance) P-C4' energy: -88.826 flat angles C4'-P-C4' energy: -101.099 flat angles P-C4'-P energy: -85.815 tors. eta vs tors. theta energy: -135.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1568.123122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.123122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.123122 (E_RNA) where: Base-Base interactions energy: -1100.689 where: short stacking energy: -447.454 Base-Backbone interact. energy: -1.734 local terms energy: -465.700813 where: bonds (distance) C4'-P energy: -70.127 bonds (distance) P-C4' energy: -87.143 flat angles C4'-P-C4' energy: -104.489 flat angles P-C4'-P energy: -70.632 tors. eta vs tors. theta energy: -133.309 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: 7 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1552.361039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.361039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.361039 (E_RNA) where: Base-Base interactions energy: -1086.019 where: short stacking energy: -429.979 Base-Backbone interact. energy: 1.726 local terms energy: -468.068289 where: bonds (distance) C4'-P energy: -69.510 bonds (distance) P-C4' energy: -91.010 flat angles C4'-P-C4' energy: -93.955 flat angles P-C4'-P energy: -79.426 tors. eta vs tors. theta energy: -134.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1405.196712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.196712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.196712 (E_RNA) where: Base-Base interactions energy: -973.347 where: short stacking energy: -396.670 Base-Backbone interact. energy: -1.196 local terms energy: -430.653775 where: bonds (distance) C4'-P energy: -85.197 bonds (distance) P-C4' energy: -74.326 flat angles C4'-P-C4' energy: -90.537 flat angles P-C4'-P energy: -61.817 tors. eta vs tors. theta energy: -118.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1353.232246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.232246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.232246 (E_RNA) where: Base-Base interactions energy: -928.331 where: short stacking energy: -380.248 Base-Backbone interact. energy: 0.790 local terms energy: -425.691085 where: bonds (distance) C4'-P energy: -85.565 bonds (distance) P-C4' energy: -76.170 flat angles C4'-P-C4' energy: -91.063 flat angles P-C4'-P energy: -64.599 tors. eta vs tors. theta energy: -108.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1285.923440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.923440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.923440 (E_RNA) where: Base-Base interactions energy: -872.364 where: short stacking energy: -359.286 Base-Backbone interact. energy: -1.135 local terms energy: -412.424912 where: bonds (distance) C4'-P energy: -85.984 bonds (distance) P-C4' energy: -81.628 flat angles C4'-P-C4' energy: -92.013 flat angles P-C4'-P energy: -54.489 tors. eta vs tors. theta energy: -98.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -1046.284232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.284232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.284232 (E_RNA) where: Base-Base interactions energy: -693.088 where: short stacking energy: -279.937 Base-Backbone interact. energy: -2.023 local terms energy: -351.172593 where: bonds (distance) C4'-P energy: -72.026 bonds (distance) P-C4' energy: -80.831 flat angles C4'-P-C4' energy: -86.709 flat angles P-C4'-P energy: -42.968 tors. eta vs tors. theta energy: -68.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -657.699904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.699904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.699904 (E_RNA) where: Base-Base interactions energy: -388.421 where: short stacking energy: -170.747 Base-Backbone interact. energy: -0.003 local terms energy: -269.275713 where: bonds (distance) C4'-P energy: -80.397 bonds (distance) P-C4' energy: -72.937 flat angles C4'-P-C4' energy: -76.529 flat angles P-C4'-P energy: -29.200 tors. eta vs tors. theta energy: -10.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1810.821489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.821489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.821489 (E_RNA) where: Base-Base interactions energy: -1277.398 where: short stacking energy: -506.900 Base-Backbone interact. energy: -0.700 local terms energy: -532.724052 where: bonds (distance) C4'-P energy: -97.812 bonds (distance) P-C4' energy: -88.731 flat angles C4'-P-C4' energy: -109.490 flat angles P-C4'-P energy: -81.138 tors. eta vs tors. theta energy: -155.553 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: 8 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1768.535213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.535213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.535213 (E_RNA) where: Base-Base interactions energy: -1220.714 where: short stacking energy: -500.761 Base-Backbone interact. energy: -1.771 local terms energy: -546.050273 where: bonds (distance) C4'-P energy: -106.151 bonds (distance) P-C4' energy: -93.670 flat angles C4'-P-C4' energy: -116.043 flat angles P-C4'-P energy: -72.335 tors. eta vs tors. theta energy: -157.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1693.969359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.969359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.969359 (E_RNA) where: Base-Base interactions energy: -1185.458 where: short stacking energy: -480.684 Base-Backbone interact. energy: -2.401 local terms energy: -506.110107 where: bonds (distance) C4'-P energy: -73.835 bonds (distance) P-C4' energy: -99.537 flat angles C4'-P-C4' energy: -107.649 flat angles P-C4'-P energy: -76.794 tors. eta vs tors. theta energy: -148.296 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: 7 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1603.951076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.951076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.951076 (E_RNA) where: Base-Base interactions energy: -1119.154 where: short stacking energy: -453.707 Base-Backbone interact. energy: -1.622 local terms energy: -483.174141 where: bonds (distance) C4'-P energy: -86.756 bonds (distance) P-C4' energy: -86.936 flat angles C4'-P-C4' energy: -102.505 flat angles P-C4'-P energy: -62.767 tors. eta vs tors. theta energy: -144.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1533.401831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.401831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.401831 (E_RNA) where: Base-Base interactions energy: -1048.373 where: short stacking energy: -441.215 Base-Backbone interact. energy: 0.761 local terms energy: -485.789865 where: bonds (distance) C4'-P energy: -90.461 bonds (distance) P-C4' energy: -89.331 flat angles C4'-P-C4' energy: -92.309 flat angles P-C4'-P energy: -74.818 tors. eta vs tors. theta energy: -138.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1386.264558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.264558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.264558 (E_RNA) where: Base-Base interactions energy: -922.433 where: short stacking energy: -394.891 Base-Backbone interact. energy: -1.613 local terms energy: -462.218856 where: bonds (distance) C4'-P energy: -93.667 bonds (distance) P-C4' energy: -97.295 flat angles C4'-P-C4' energy: -97.998 flat angles P-C4'-P energy: -59.991 tors. eta vs tors. theta energy: -113.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1386.004084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.004084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.004084 (E_RNA) where: Base-Base interactions energy: -953.342 where: short stacking energy: -396.953 Base-Backbone interact. energy: -0.099 local terms energy: -432.563413 where: bonds (distance) C4'-P energy: -76.415 bonds (distance) P-C4' energy: -92.092 flat angles C4'-P-C4' energy: -89.792 flat angles P-C4'-P energy: -61.538 tors. eta vs tors. theta energy: -112.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1266.679815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.679815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.679815 (E_RNA) where: Base-Base interactions energy: -867.136 where: short stacking energy: -350.076 Base-Backbone interact. energy: -1.616 local terms energy: -397.928680 where: bonds (distance) C4'-P energy: -53.592 bonds (distance) P-C4' energy: -83.225 flat angles C4'-P-C4' energy: -89.933 flat angles P-C4'-P energy: -65.676 tors. eta vs tors. theta energy: -105.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -1015.894975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.894975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.894975 (E_RNA) where: Base-Base interactions energy: -676.471 where: short stacking energy: -291.960 Base-Backbone interact. energy: 0.376 local terms energy: -339.799556 where: bonds (distance) C4'-P energy: -75.424 bonds (distance) P-C4' energy: -77.373 flat angles C4'-P-C4' energy: -85.807 flat angles P-C4'-P energy: -33.223 tors. eta vs tors. theta energy: -67.973 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: 10, replica: 10 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -650.611007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.611007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.611007 (E_RNA) where: Base-Base interactions energy: -371.585 where: short stacking energy: -165.434 Base-Backbone interact. energy: -0.008 local terms energy: -279.017740 where: bonds (distance) C4'-P energy: -74.889 bonds (distance) P-C4' energy: -63.132 flat angles C4'-P-C4' energy: -77.381 flat angles P-C4'-P energy: -47.780 tors. eta vs tors. theta energy: -15.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1822.720635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.720635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.720635 (E_RNA) where: Base-Base interactions energy: -1276.193 where: short stacking energy: -526.393 Base-Backbone interact. energy: -1.026 local terms energy: -545.501746 where: bonds (distance) C4'-P energy: -101.180 bonds (distance) P-C4' energy: -102.367 flat angles C4'-P-C4' energy: -100.932 flat angles P-C4'-P energy: -85.686 tors. eta vs tors. theta energy: -155.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1760.853337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.853337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.853337 (E_RNA) where: Base-Base interactions energy: -1235.643 where: short stacking energy: -519.800 Base-Backbone interact. energy: -1.365 local terms energy: -523.845942 where: bonds (distance) C4'-P energy: -82.059 bonds (distance) P-C4' energy: -87.560 flat angles C4'-P-C4' energy: -103.843 flat angles P-C4'-P energy: -86.403 tors. eta vs tors. theta energy: -163.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1664.681725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.681725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.681725 (E_RNA) where: Base-Base interactions energy: -1158.597 where: short stacking energy: -453.383 Base-Backbone interact. energy: -1.767 local terms energy: -504.317955 where: bonds (distance) C4'-P energy: -91.319 bonds (distance) P-C4' energy: -93.924 flat angles C4'-P-C4' energy: -106.282 flat angles P-C4'-P energy: -78.961 tors. eta vs tors. theta energy: -133.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1644.475500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.475500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.475500 (E_RNA) where: Base-Base interactions energy: -1155.849 where: short stacking energy: -467.251 Base-Backbone interact. energy: -1.129 local terms energy: -487.497197 where: bonds (distance) C4'-P energy: -94.163 bonds (distance) P-C4' energy: -76.890 flat angles C4'-P-C4' energy: -102.811 flat angles P-C4'-P energy: -65.236 tors. eta vs tors. theta energy: -148.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1518.758336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.758336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.758336 (E_RNA) where: Base-Base interactions energy: -1080.998 where: short stacking energy: -436.201 Base-Backbone interact. energy: -0.503 local terms energy: -437.257714 where: bonds (distance) C4'-P energy: -81.255 bonds (distance) P-C4' energy: -73.785 flat angles C4'-P-C4' energy: -91.523 flat angles P-C4'-P energy: -65.849 tors. eta vs tors. theta energy: -124.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1385.522303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.522303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.522303 (E_RNA) where: Base-Base interactions energy: -948.312 where: short stacking energy: -397.394 Base-Backbone interact. energy: -0.694 local terms energy: -436.516389 where: bonds (distance) C4'-P energy: -88.742 bonds (distance) P-C4' energy: -78.374 flat angles C4'-P-C4' energy: -95.044 flat angles P-C4'-P energy: -69.974 tors. eta vs tors. theta energy: -104.383 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: 1 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1354.001707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.001707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.001707 (E_RNA) where: Base-Base interactions energy: -934.689 where: short stacking energy: -383.831 Base-Backbone interact. energy: 4.304 local terms energy: -423.616537 where: bonds (distance) C4'-P energy: -85.213 bonds (distance) P-C4' energy: -79.996 flat angles C4'-P-C4' energy: -94.399 flat angles P-C4'-P energy: -59.705 tors. eta vs tors. theta energy: -104.303 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: 5 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1285.473177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.473177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.473177 (E_RNA) where: Base-Base interactions energy: -869.783 where: short stacking energy: -367.238 Base-Backbone interact. energy: -0.822 local terms energy: -414.867417 where: bonds (distance) C4'-P energy: -82.285 bonds (distance) P-C4' energy: -76.576 flat angles C4'-P-C4' energy: -93.462 flat angles P-C4'-P energy: -62.948 tors. eta vs tors. theta energy: -99.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -998.166664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.166664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.166664 (E_RNA) where: Base-Base interactions energy: -641.540 where: short stacking energy: -301.351 Base-Backbone interact. energy: 3.503 local terms energy: -360.129879 where: bonds (distance) C4'-P energy: -71.335 bonds (distance) P-C4' energy: -89.789 flat angles C4'-P-C4' energy: -83.161 flat angles P-C4'-P energy: -47.600 tors. eta vs tors. theta energy: -68.245 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: 10 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -652.177553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.177553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.177553 (E_RNA) where: Base-Base interactions energy: -380.272 where: short stacking energy: -187.933 Base-Backbone interact. energy: 1.068 local terms energy: -272.973878 where: bonds (distance) C4'-P energy: -67.696 bonds (distance) P-C4' energy: -72.970 flat angles C4'-P-C4' energy: -70.474 flat angles P-C4'-P energy: -48.140 tors. eta vs tors. theta energy: -13.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1803.369735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.369735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.369735 (E_RNA) where: Base-Base interactions energy: -1282.009 where: short stacking energy: -502.457 Base-Backbone interact. energy: 0.819 local terms energy: -522.179386 where: bonds (distance) C4'-P energy: -92.424 bonds (distance) P-C4' energy: -100.201 flat angles C4'-P-C4' energy: -118.483 flat angles P-C4'-P energy: -61.550 tors. eta vs tors. theta energy: -149.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1748.639965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.639965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.639965 (E_RNA) where: Base-Base interactions energy: -1208.154 where: short stacking energy: -497.625 Base-Backbone interact. energy: -0.904 local terms energy: -539.582547 where: bonds (distance) C4'-P energy: -105.893 bonds (distance) P-C4' energy: -96.511 flat angles C4'-P-C4' energy: -107.714 flat angles P-C4'-P energy: -77.542 tors. eta vs tors. theta energy: -151.922 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: 221 Temperature: 1.000000 Total energy: -1722.648445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.648445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.648445 (E_RNA) where: Base-Base interactions energy: -1202.053 where: short stacking energy: -494.735 Base-Backbone interact. energy: -1.187 local terms energy: -519.408754 where: bonds (distance) C4'-P energy: -94.549 bonds (distance) P-C4' energy: -87.388 flat angles C4'-P-C4' energy: -105.921 flat angles P-C4'-P energy: -79.446 tors. eta vs tors. theta energy: -152.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1620.266065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.266065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.266065 (E_RNA) where: Base-Base interactions energy: -1152.311 where: short stacking energy: -453.137 Base-Backbone interact. energy: -1.037 local terms energy: -466.918221 where: bonds (distance) C4'-P energy: -69.874 bonds (distance) P-C4' energy: -89.702 flat angles C4'-P-C4' energy: -104.040 flat angles P-C4'-P energy: -63.792 tors. eta vs tors. theta energy: -139.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1496.233080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.233080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.233080 (E_RNA) where: Base-Base interactions energy: -1037.151 where: short stacking energy: -431.028 Base-Backbone interact. energy: 1.406 local terms energy: -460.488295 where: bonds (distance) C4'-P energy: -94.577 bonds (distance) P-C4' energy: -74.853 flat angles C4'-P-C4' energy: -95.101 flat angles P-C4'-P energy: -64.358 tors. eta vs tors. theta energy: -131.599 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: 6, replica: 6 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1405.740141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.740141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.740141 (E_RNA) where: Base-Base interactions energy: -961.878 where: short stacking energy: -383.862 Base-Backbone interact. energy: 1.192 local terms energy: -445.053932 where: bonds (distance) C4'-P energy: -84.417 bonds (distance) P-C4' energy: -74.432 flat angles C4'-P-C4' energy: -99.185 flat angles P-C4'-P energy: -69.969 tors. eta vs tors. theta energy: -117.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1320.501326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.501326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.501326 (E_RNA) where: Base-Base interactions energy: -898.016 where: short stacking energy: -386.587 Base-Backbone interact. energy: 0.537 local terms energy: -423.021711 where: bonds (distance) C4'-P energy: -80.728 bonds (distance) P-C4' energy: -63.086 flat angles C4'-P-C4' energy: -95.370 flat angles P-C4'-P energy: -67.056 tors. eta vs tors. theta energy: -116.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1267.081404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.081404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.081404 (E_RNA) where: Base-Base interactions energy: -868.170 where: short stacking energy: -360.281 Base-Backbone interact. energy: -0.535 local terms energy: -398.376801 where: bonds (distance) C4'-P energy: -76.776 bonds (distance) P-C4' energy: -69.881 flat angles C4'-P-C4' energy: -95.967 flat angles P-C4'-P energy: -56.697 tors. eta vs tors. theta energy: -99.056 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: 9 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -1023.344134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.344134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.344134 (E_RNA) where: Base-Base interactions energy: -654.756 where: short stacking energy: -278.912 Base-Backbone interact. energy: -0.776 local terms energy: -367.812331 where: bonds (distance) C4'-P energy: -76.746 bonds (distance) P-C4' energy: -91.117 flat angles C4'-P-C4' energy: -74.057 flat angles P-C4'-P energy: -55.605 tors. eta vs tors. theta energy: -70.287 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: 10 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -630.042116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.042116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.042116 (E_RNA) where: Base-Base interactions energy: -344.837 where: short stacking energy: -166.627 Base-Backbone interact. energy: 1.597 local terms energy: -286.802489 where: bonds (distance) C4'-P energy: -63.986 bonds (distance) P-C4' energy: -80.527 flat angles C4'-P-C4' energy: -76.722 flat angles P-C4'-P energy: -49.867 tors. eta vs tors. theta energy: -15.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1809.853597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.853597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.853597 (E_RNA) where: Base-Base interactions energy: -1283.768 where: short stacking energy: -530.794 Base-Backbone interact. energy: -2.200 local terms energy: -523.884941 where: bonds (distance) C4'-P energy: -88.029 bonds (distance) P-C4' energy: -88.736 flat angles C4'-P-C4' energy: -109.921 flat angles P-C4'-P energy: -80.434 tors. eta vs tors. theta energy: -156.764 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: 2, replica: 8 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1756.352252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.352252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.352252 (E_RNA) where: Base-Base interactions energy: -1240.884 where: short stacking energy: -514.960 Base-Backbone interact. energy: -0.728 local terms energy: -514.740066 where: bonds (distance) C4'-P energy: -89.546 bonds (distance) P-C4' energy: -99.979 flat angles C4'-P-C4' energy: -95.920 flat angles P-C4'-P energy: -68.095 tors. eta vs tors. theta energy: -161.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1712.166599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.166599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.166599 (E_RNA) where: Base-Base interactions energy: -1201.380 where: short stacking energy: -478.234 Base-Backbone interact. energy: -1.551 local terms energy: -509.235815 where: bonds (distance) C4'-P energy: -101.570 bonds (distance) P-C4' energy: -91.642 flat angles C4'-P-C4' energy: -98.708 flat angles P-C4'-P energy: -79.817 tors. eta vs tors. theta energy: -137.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1640.354808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.354808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.354808 (E_RNA) where: Base-Base interactions energy: -1153.264 where: short stacking energy: -472.702 Base-Backbone interact. energy: 2.114 local terms energy: -489.205078 where: bonds (distance) C4'-P energy: -82.155 bonds (distance) P-C4' energy: -96.481 flat angles C4'-P-C4' energy: -97.067 flat angles P-C4'-P energy: -67.052 tors. eta vs tors. theta energy: -146.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1569.203457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.203457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.203457 (E_RNA) where: Base-Base interactions energy: -1090.083 where: short stacking energy: -443.102 Base-Backbone interact. energy: 0.386 local terms energy: -479.506627 where: bonds (distance) C4'-P energy: -76.093 bonds (distance) P-C4' energy: -99.002 flat angles C4'-P-C4' energy: -109.490 flat angles P-C4'-P energy: -58.985 tors. eta vs tors. theta energy: -135.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1426.779550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.779550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.779550 (E_RNA) where: Base-Base interactions energy: -980.215 where: short stacking energy: -392.795 Base-Backbone interact. energy: -1.653 local terms energy: -444.911294 where: bonds (distance) C4'-P energy: -85.635 bonds (distance) P-C4' energy: -88.941 flat angles C4'-P-C4' energy: -88.877 flat angles P-C4'-P energy: -67.130 tors. eta vs tors. theta energy: -114.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1280.900266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.900266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.900266 (E_RNA) where: Base-Base interactions energy: -855.242 where: short stacking energy: -356.457 Base-Backbone interact. energy: -0.945 local terms energy: -424.713387 where: bonds (distance) C4'-P energy: -81.422 bonds (distance) P-C4' energy: -87.361 flat angles C4'-P-C4' energy: -97.201 flat angles P-C4'-P energy: -59.939 tors. eta vs tors. theta energy: -98.791 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: 8, replica: 1 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1278.217775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.217775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.217775 (E_RNA) where: Base-Base interactions energy: -884.803 where: short stacking energy: -367.573 Base-Backbone interact. energy: 4.952 local terms energy: -398.366347 where: bonds (distance) C4'-P energy: -83.427 bonds (distance) P-C4' energy: -64.953 flat angles C4'-P-C4' energy: -85.098 flat angles P-C4'-P energy: -62.047 tors. eta vs tors. theta energy: -102.842 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: 9 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1033.517522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.517522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.517522 (E_RNA) where: Base-Base interactions energy: -675.364 where: short stacking energy: -291.673 Base-Backbone interact. energy: 2.221 local terms energy: -360.374502 where: bonds (distance) C4'-P energy: -81.136 bonds (distance) P-C4' energy: -68.064 flat angles C4'-P-C4' energy: -93.709 flat angles P-C4'-P energy: -54.155 tors. eta vs tors. theta energy: -63.310 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: 10 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -658.230143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.230143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.230143 (E_RNA) where: Base-Base interactions energy: -385.053 where: short stacking energy: -178.088 Base-Backbone interact. energy: -0.311 local terms energy: -272.866432 where: bonds (distance) C4'-P energy: -77.626 bonds (distance) P-C4' energy: -73.794 flat angles C4'-P-C4' energy: -66.407 flat angles P-C4'-P energy: -39.107 tors. eta vs tors. theta energy: -15.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1834.415041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.415041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.415041 (E_RNA) where: Base-Base interactions energy: -1285.750 where: short stacking energy: -521.978 Base-Backbone interact. energy: -0.170 local terms energy: -548.494892 where: bonds (distance) C4'-P energy: -96.850 bonds (distance) P-C4' energy: -102.260 flat angles C4'-P-C4' energy: -109.874 flat angles P-C4'-P energy: -76.662 tors. eta vs tors. theta energy: -162.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1747.462305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.462305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.462305 (E_RNA) where: Base-Base interactions energy: -1216.613 where: short stacking energy: -496.642 Base-Backbone interact. energy: 0.448 local terms energy: -531.297616 where: bonds (distance) C4'-P energy: -88.472 bonds (distance) P-C4' energy: -99.697 flat angles C4'-P-C4' energy: -120.022 flat angles P-C4'-P energy: -72.013 tors. eta vs tors. theta energy: -151.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1704.277687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.277687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.277687 (E_RNA) where: Base-Base interactions energy: -1182.472 where: short stacking energy: -482.152 Base-Backbone interact. energy: 0.199 local terms energy: -522.004822 where: bonds (distance) C4'-P energy: -93.497 bonds (distance) P-C4' energy: -102.339 flat angles C4'-P-C4' energy: -102.202 flat angles P-C4'-P energy: -74.133 tors. eta vs tors. theta energy: -149.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1636.036798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.036798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.036798 (E_RNA) where: Base-Base interactions energy: -1131.228 where: short stacking energy: -456.124 Base-Backbone interact. energy: 0.750 local terms energy: -505.558737 where: bonds (distance) C4'-P energy: -104.059 bonds (distance) P-C4' energy: -88.482 flat angles C4'-P-C4' energy: -107.956 flat angles P-C4'-P energy: -74.290 tors. eta vs tors. theta energy: -130.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1589.425273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.425273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.425273 (E_RNA) where: Base-Base interactions energy: -1097.307 where: short stacking energy: -431.202 Base-Backbone interact. energy: -1.077 local terms energy: -491.040958 where: bonds (distance) C4'-P energy: -79.821 bonds (distance) P-C4' energy: -89.782 flat angles C4'-P-C4' energy: -111.458 flat angles P-C4'-P energy: -64.851 tors. eta vs tors. theta energy: -145.128 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: 6, replica: 6 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1411.202202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.202202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.202202 (E_RNA) where: Base-Base interactions energy: -979.940 where: short stacking energy: -412.847 Base-Backbone interact. energy: -0.153 local terms energy: -431.109494 where: bonds (distance) C4'-P energy: -63.707 bonds (distance) P-C4' energy: -90.763 flat angles C4'-P-C4' energy: -89.899 flat angles P-C4'-P energy: -68.524 tors. eta vs tors. theta energy: -118.216 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: 7, replica: 5 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1285.711625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.711625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.711625 (E_RNA) where: Base-Base interactions energy: -857.133 where: short stacking energy: -366.414 Base-Backbone interact. energy: 1.130 local terms energy: -429.708768 where: bonds (distance) C4'-P energy: -77.380 bonds (distance) P-C4' energy: -86.671 flat angles C4'-P-C4' energy: -105.287 flat angles P-C4'-P energy: -56.948 tors. eta vs tors. theta energy: -103.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1275.801380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.801380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.801380 (E_RNA) where: Base-Base interactions energy: -856.342 where: short stacking energy: -355.584 Base-Backbone interact. energy: 1.733 local terms energy: -421.192110 where: bonds (distance) C4'-P energy: -83.571 bonds (distance) P-C4' energy: -77.693 flat angles C4'-P-C4' energy: -105.381 flat angles P-C4'-P energy: -52.645 tors. eta vs tors. theta energy: -101.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -1042.120553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.120553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.120553 (E_RNA) where: Base-Base interactions energy: -702.159 where: short stacking energy: -314.314 Base-Backbone interact. energy: 1.486 local terms energy: -341.448043 where: bonds (distance) C4'-P energy: -73.109 bonds (distance) P-C4' energy: -75.983 flat angles C4'-P-C4' energy: -91.820 flat angles P-C4'-P energy: -36.106 tors. eta vs tors. theta energy: -64.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -651.023115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.023115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.023115 (E_RNA) where: Base-Base interactions energy: -342.354 where: short stacking energy: -158.352 Base-Backbone interact. energy: 2.159 local terms energy: -310.828340 where: bonds (distance) C4'-P energy: -87.101 bonds (distance) P-C4' energy: -84.147 flat angles C4'-P-C4' energy: -65.417 flat angles P-C4'-P energy: -52.208 tors. eta vs tors. theta energy: -21.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1840.993978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.993978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.993978 (E_RNA) where: Base-Base interactions energy: -1298.504 where: short stacking energy: -523.536 Base-Backbone interact. energy: -1.043 local terms energy: -541.447639 where: bonds (distance) C4'-P energy: -92.559 bonds (distance) P-C4' energy: -98.031 flat angles C4'-P-C4' energy: -114.718 flat angles P-C4'-P energy: -76.766 tors. eta vs tors. theta energy: -159.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1749.589221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.589221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.589221 (E_RNA) where: Base-Base interactions energy: -1216.773 where: short stacking energy: -490.783 Base-Backbone interact. energy: -1.929 local terms energy: -530.887786 where: bonds (distance) C4'-P energy: -93.622 bonds (distance) P-C4' energy: -97.294 flat angles C4'-P-C4' energy: -109.696 flat angles P-C4'-P energy: -80.851 tors. eta vs tors. theta energy: -149.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1702.435204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.435204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.435204 (E_RNA) where: Base-Base interactions energy: -1185.849 where: short stacking energy: -470.415 Base-Backbone interact. energy: 0.072 local terms energy: -516.658081 where: bonds (distance) C4'-P energy: -104.924 bonds (distance) P-C4' energy: -95.767 flat angles C4'-P-C4' energy: -104.201 flat angles P-C4'-P energy: -76.699 tors. eta vs tors. theta energy: -135.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1604.704569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.704569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.704569 (E_RNA) where: Base-Base interactions energy: -1126.611 where: short stacking energy: -469.304 Base-Backbone interact. energy: 1.115 local terms energy: -479.208826 where: bonds (distance) C4'-P energy: -91.402 bonds (distance) P-C4' energy: -82.471 flat angles C4'-P-C4' energy: -107.702 flat angles P-C4'-P energy: -55.583 tors. eta vs tors. theta energy: -142.052 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: 7 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1596.398944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.398944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.398944 (E_RNA) where: Base-Base interactions energy: -1117.307 where: short stacking energy: -463.377 Base-Backbone interact. energy: 2.882 local terms energy: -481.973317 where: bonds (distance) C4'-P energy: -86.332 bonds (distance) P-C4' energy: -83.432 flat angles C4'-P-C4' energy: -95.538 flat angles P-C4'-P energy: -69.834 tors. eta vs tors. theta energy: -146.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1423.235973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.235973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.235973 (E_RNA) where: Base-Base interactions energy: -969.455 where: short stacking energy: -391.834 Base-Backbone interact. energy: -1.640 local terms energy: -452.140580 where: bonds (distance) C4'-P energy: -75.643 bonds (distance) P-C4' energy: -93.963 flat angles C4'-P-C4' energy: -98.616 flat angles P-C4'-P energy: -70.754 tors. eta vs tors. theta energy: -113.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1302.683392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.683392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.683392 (E_RNA) where: Base-Base interactions energy: -874.634 where: short stacking energy: -365.862 Base-Backbone interact. energy: -0.128 local terms energy: -427.921827 where: bonds (distance) C4'-P energy: -80.573 bonds (distance) P-C4' energy: -88.100 flat angles C4'-P-C4' energy: -89.475 flat angles P-C4'-P energy: -66.759 tors. eta vs tors. theta energy: -103.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1278.789699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.789699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.789699 (E_RNA) where: Base-Base interactions energy: -857.589 where: short stacking energy: -341.504 Base-Backbone interact. energy: -1.611 local terms energy: -419.589159 where: bonds (distance) C4'-P energy: -80.931 bonds (distance) P-C4' energy: -84.389 flat angles C4'-P-C4' energy: -93.241 flat angles P-C4'-P energy: -64.440 tors. eta vs tors. theta energy: -96.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -1102.969560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.969560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.969560 (E_RNA) where: Base-Base interactions energy: -733.831 where: short stacking energy: -327.143 Base-Backbone interact. energy: -1.192 local terms energy: -367.946601 where: bonds (distance) C4'-P energy: -75.568 bonds (distance) P-C4' energy: -71.440 flat angles C4'-P-C4' energy: -83.666 flat angles P-C4'-P energy: -62.198 tors. eta vs tors. theta energy: -75.074 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: 224 Temperature: 1.350000 Total energy: -672.370187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.370187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.370187 (E_RNA) where: Base-Base interactions energy: -362.855 where: short stacking energy: -183.313 Base-Backbone interact. energy: -1.379 local terms energy: -308.135938 where: bonds (distance) C4'-P energy: -79.335 bonds (distance) P-C4' energy: -97.371 flat angles C4'-P-C4' energy: -73.489 flat angles P-C4'-P energy: -28.451 tors. eta vs tors. theta energy: -29.489 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: 3 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1803.815645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.815645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.815645 (E_RNA) where: Base-Base interactions energy: -1253.634 where: short stacking energy: -503.134 Base-Backbone interact. energy: 3.954 local terms energy: -554.135394 where: bonds (distance) C4'-P energy: -95.099 bonds (distance) P-C4' energy: -109.620 flat angles C4'-P-C4' energy: -111.843 flat angles P-C4'-P energy: -81.136 tors. eta vs tors. theta energy: -156.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1758.206931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.206931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.206931 (E_RNA) where: Base-Base interactions energy: -1217.161 where: short stacking energy: -482.850 Base-Backbone interact. energy: -0.422 local terms energy: -540.623756 where: bonds (distance) C4'-P energy: -100.606 bonds (distance) P-C4' energy: -96.088 flat angles C4'-P-C4' energy: -104.322 flat angles P-C4'-P energy: -81.655 tors. eta vs tors. theta energy: -157.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1714.350453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.350453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.350453 (E_RNA) where: Base-Base interactions energy: -1182.073 where: short stacking energy: -484.070 Base-Backbone interact. energy: -2.037 local terms energy: -530.239794 where: bonds (distance) C4'-P energy: -93.425 bonds (distance) P-C4' energy: -102.085 flat angles C4'-P-C4' energy: -106.763 flat angles P-C4'-P energy: -75.295 tors. eta vs tors. theta energy: -152.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1637.637389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.637389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.637389 (E_RNA) where: Base-Base interactions energy: -1131.195 where: short stacking energy: -467.595 Base-Backbone interact. energy: -0.850 local terms energy: -505.592061 where: bonds (distance) C4'-P energy: -90.276 bonds (distance) P-C4' energy: -94.347 flat angles C4'-P-C4' energy: -102.190 flat angles P-C4'-P energy: -66.767 tors. eta vs tors. theta energy: -152.012 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: 225 Temperature: 1.100000 Total energy: -1564.240334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.240334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.240334 (E_RNA) where: Base-Base interactions energy: -1065.637 where: short stacking energy: -434.559 Base-Backbone interact. energy: -0.774 local terms energy: -497.828849 where: bonds (distance) C4'-P energy: -92.495 bonds (distance) P-C4' energy: -91.097 flat angles C4'-P-C4' energy: -106.123 flat angles P-C4'-P energy: -69.908 tors. eta vs tors. theta energy: -138.206 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: 6 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1431.401238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.401238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.401238 (E_RNA) where: Base-Base interactions energy: -976.990 where: short stacking energy: -398.310 Base-Backbone interact. energy: -0.956 local terms energy: -453.454940 where: bonds (distance) C4'-P energy: -84.371 bonds (distance) P-C4' energy: -87.130 flat angles C4'-P-C4' energy: -103.598 flat angles P-C4'-P energy: -65.860 tors. eta vs tors. theta energy: -112.496 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: 1 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1354.744924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.744924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.744924 (E_RNA) where: Base-Base interactions energy: -945.793 where: short stacking energy: -404.265 Base-Backbone interact. energy: -1.982 local terms energy: -406.970558 where: bonds (distance) C4'-P energy: -63.391 bonds (distance) P-C4' energy: -79.835 flat angles C4'-P-C4' energy: -91.396 flat angles P-C4'-P energy: -62.132 tors. eta vs tors. theta energy: -110.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1266.135981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.135981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.135981 (E_RNA) where: Base-Base interactions energy: -898.429 where: short stacking energy: -345.178 Base-Backbone interact. energy: -1.118 local terms energy: -366.589498 where: bonds (distance) C4'-P energy: -64.719 bonds (distance) P-C4' energy: -53.934 flat angles C4'-P-C4' energy: -89.965 flat angles P-C4'-P energy: -54.238 tors. eta vs tors. theta energy: -103.733 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: 9 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -1095.542151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.542151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.542151 (E_RNA) where: Base-Base interactions energy: -716.525 where: short stacking energy: -313.959 Base-Backbone interact. energy: 1.684 local terms energy: -380.701358 where: bonds (distance) C4'-P energy: -86.711 bonds (distance) P-C4' energy: -77.121 flat angles C4'-P-C4' energy: -81.684 flat angles P-C4'-P energy: -54.962 tors. eta vs tors. theta energy: -80.223 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: 10 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -730.775796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.775796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.775796 (E_RNA) where: Base-Base interactions energy: -428.880 where: short stacking energy: -205.512 Base-Backbone interact. energy: 3.223 local terms energy: -305.119210 where: bonds (distance) C4'-P energy: -80.313 bonds (distance) P-C4' energy: -84.130 flat angles C4'-P-C4' energy: -67.986 flat angles P-C4'-P energy: -46.988 tors. eta vs tors. theta energy: -25.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1819.677517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.677517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.677517 (E_RNA) where: Base-Base interactions energy: -1281.844 where: short stacking energy: -519.379 Base-Backbone interact. energy: -1.046 local terms energy: -536.787762 where: bonds (distance) C4'-P energy: -99.232 bonds (distance) P-C4' energy: -87.625 flat angles C4'-P-C4' energy: -110.652 flat angles P-C4'-P energy: -82.130 tors. eta vs tors. theta energy: -157.148 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: 226 Temperature: 0.950000 Total energy: -1746.270866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.270866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.270866 (E_RNA) where: Base-Base interactions energy: -1215.138 where: short stacking energy: -503.508 Base-Backbone interact. energy: -0.806 local terms energy: -530.326617 where: bonds (distance) C4'-P energy: -97.549 bonds (distance) P-C4' energy: -100.604 flat angles C4'-P-C4' energy: -108.604 flat angles P-C4'-P energy: -79.082 tors. eta vs tors. theta energy: -144.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1718.637150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.637150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.637150 (E_RNA) where: Base-Base interactions energy: -1208.502 where: short stacking energy: -491.406 Base-Backbone interact. energy: -2.353 local terms energy: -507.782445 where: bonds (distance) C4'-P energy: -87.418 bonds (distance) P-C4' energy: -78.913 flat angles C4'-P-C4' energy: -110.354 flat angles P-C4'-P energy: -76.690 tors. eta vs tors. theta energy: -154.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1612.724086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.724086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.724086 (E_RNA) where: Base-Base interactions energy: -1113.724 where: short stacking energy: -463.407 Base-Backbone interact. energy: -1.853 local terms energy: -497.147086 where: bonds (distance) C4'-P energy: -92.747 bonds (distance) P-C4' energy: -94.393 flat angles C4'-P-C4' energy: -106.238 flat angles P-C4'-P energy: -60.147 tors. eta vs tors. theta energy: -143.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1580.645294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.645294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.645294 (E_RNA) where: Base-Base interactions energy: -1102.282 where: short stacking energy: -443.824 Base-Backbone interact. energy: -1.660 local terms energy: -476.703064 where: bonds (distance) C4'-P energy: -81.575 bonds (distance) P-C4' energy: -81.259 flat angles C4'-P-C4' energy: -109.478 flat angles P-C4'-P energy: -59.678 tors. eta vs tors. theta energy: -144.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1453.286125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.286125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.286125 (E_RNA) where: Base-Base interactions energy: -1006.938 where: short stacking energy: -416.017 Base-Backbone interact. energy: -0.509 local terms energy: -445.839090 where: bonds (distance) C4'-P energy: -78.504 bonds (distance) P-C4' energy: -84.240 flat angles C4'-P-C4' energy: -95.484 flat angles P-C4'-P energy: -60.396 tors. eta vs tors. theta energy: -127.216 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: 7, replica: 5 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1324.281421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.281421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.281421 (E_RNA) where: Base-Base interactions energy: -906.959 where: short stacking energy: -372.972 Base-Backbone interact. energy: 1.250 local terms energy: -418.572520 where: bonds (distance) C4'-P energy: -80.945 bonds (distance) P-C4' energy: -85.420 flat angles C4'-P-C4' energy: -92.022 flat angles P-C4'-P energy: -54.561 tors. eta vs tors. theta energy: -105.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1262.623221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.623221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.623221 (E_RNA) where: Base-Base interactions energy: -877.442 where: short stacking energy: -363.141 Base-Backbone interact. energy: -1.939 local terms energy: -383.242111 where: bonds (distance) C4'-P energy: -63.037 bonds (distance) P-C4' energy: -75.438 flat angles C4'-P-C4' energy: -74.998 flat angles P-C4'-P energy: -69.037 tors. eta vs tors. theta energy: -100.733 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: 9 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -1059.421648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.421648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.421648 (E_RNA) where: Base-Base interactions energy: -697.565 where: short stacking energy: -312.770 Base-Backbone interact. energy: -1.421 local terms energy: -360.435510 where: bonds (distance) C4'-P energy: -65.913 bonds (distance) P-C4' energy: -75.311 flat angles C4'-P-C4' energy: -82.254 flat angles P-C4'-P energy: -55.921 tors. eta vs tors. theta energy: -81.037 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: 10 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -733.900864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.900864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.900864 (E_RNA) where: Base-Base interactions energy: -427.139 where: short stacking energy: -201.844 Base-Backbone interact. energy: -1.752 local terms energy: -305.010548 where: bonds (distance) C4'-P energy: -69.563 bonds (distance) P-C4' energy: -82.921 flat angles C4'-P-C4' energy: -78.348 flat angles P-C4'-P energy: -45.937 tors. eta vs tors. theta energy: -28.241 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: 3 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1825.771514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.771514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.771514 (E_RNA) where: Base-Base interactions energy: -1282.305 where: short stacking energy: -513.165 Base-Backbone interact. energy: 1.762 local terms energy: -545.228614 where: bonds (distance) C4'-P energy: -97.325 bonds (distance) P-C4' energy: -94.714 flat angles C4'-P-C4' energy: -111.431 flat angles P-C4'-P energy: -81.082 tors. eta vs tors. theta energy: -160.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1769.046139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.046139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.046139 (E_RNA) where: Base-Base interactions energy: -1229.238 where: short stacking energy: -497.039 Base-Backbone interact. energy: -3.309 local terms energy: -536.499210 where: bonds (distance) C4'-P energy: -95.452 bonds (distance) P-C4' energy: -95.763 flat angles C4'-P-C4' energy: -107.441 flat angles P-C4'-P energy: -71.697 tors. eta vs tors. theta energy: -166.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1709.157719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.157719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.157719 (E_RNA) where: Base-Base interactions energy: -1203.886 where: short stacking energy: -480.226 Base-Backbone interact. energy: -1.274 local terms energy: -503.997066 where: bonds (distance) C4'-P energy: -89.486 bonds (distance) P-C4' energy: -89.178 flat angles C4'-P-C4' energy: -104.874 flat angles P-C4'-P energy: -80.552 tors. eta vs tors. theta energy: -139.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1621.298062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.298062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.298062 (E_RNA) where: Base-Base interactions energy: -1101.704 where: short stacking energy: -446.145 Base-Backbone interact. energy: -1.993 local terms energy: -517.600578 where: bonds (distance) C4'-P energy: -94.358 bonds (distance) P-C4' energy: -93.942 flat angles C4'-P-C4' energy: -105.397 flat angles P-C4'-P energy: -73.791 tors. eta vs tors. theta energy: -150.112 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: 4 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1549.112822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.112822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.112822 (E_RNA) where: Base-Base interactions energy: -1066.057 where: short stacking energy: -419.693 Base-Backbone interact. energy: -1.413 local terms energy: -481.642548 where: bonds (distance) C4'-P energy: -72.161 bonds (distance) P-C4' energy: -100.210 flat angles C4'-P-C4' energy: -108.452 flat angles P-C4'-P energy: -71.547 tors. eta vs tors. theta energy: -129.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1468.035223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.035223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.035223 (E_RNA) where: Base-Base interactions energy: -973.621 where: short stacking energy: -412.848 Base-Backbone interact. energy: -0.779 local terms energy: -493.635938 where: bonds (distance) C4'-P energy: -93.564 bonds (distance) P-C4' energy: -95.207 flat angles C4'-P-C4' energy: -109.470 flat angles P-C4'-P energy: -63.095 tors. eta vs tors. theta energy: -132.299 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: 5 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1372.373340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.373340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.373340 (E_RNA) where: Base-Base interactions energy: -947.845 where: short stacking energy: -366.953 Base-Backbone interact. energy: -0.351 local terms energy: -424.177242 where: bonds (distance) C4'-P energy: -70.444 bonds (distance) P-C4' energy: -100.722 flat angles C4'-P-C4' energy: -83.205 flat angles P-C4'-P energy: -55.975 tors. eta vs tors. theta energy: -113.832 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: 8, replica: 1 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1294.360303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.360303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.360303 (E_RNA) where: Base-Base interactions energy: -888.371 where: short stacking energy: -364.752 Base-Backbone interact. energy: -1.475 local terms energy: -404.514131 where: bonds (distance) C4'-P energy: -71.387 bonds (distance) P-C4' energy: -85.315 flat angles C4'-P-C4' energy: -83.452 flat angles P-C4'-P energy: -50.053 tors. eta vs tors. theta energy: -114.306 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: 9 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -1116.503900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.503900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.503900 (E_RNA) where: Base-Base interactions energy: -747.571 where: short stacking energy: -315.940 Base-Backbone interact. energy: -0.707 local terms energy: -368.225637 where: bonds (distance) C4'-P energy: -80.303 bonds (distance) P-C4' energy: -79.237 flat angles C4'-P-C4' energy: -76.238 flat angles P-C4'-P energy: -57.078 tors. eta vs tors. theta energy: -75.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -776.219912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.219912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.219912 (E_RNA) where: Base-Base interactions energy: -452.402 where: short stacking energy: -203.454 Base-Backbone interact. energy: -0.807 local terms energy: -323.010205 where: bonds (distance) C4'-P energy: -88.940 bonds (distance) P-C4' energy: -94.832 flat angles C4'-P-C4' energy: -71.556 flat angles P-C4'-P energy: -40.886 tors. eta vs tors. theta energy: -26.797 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: 3 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1843.410582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.410582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.410582 (E_RNA) where: Base-Base interactions energy: -1300.510 where: short stacking energy: -515.757 Base-Backbone interact. energy: -1.300 local terms energy: -541.600202 where: bonds (distance) C4'-P energy: -101.572 bonds (distance) P-C4' energy: -101.655 flat angles C4'-P-C4' energy: -104.648 flat angles P-C4'-P energy: -81.934 tors. eta vs tors. theta energy: -151.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1735.673772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.673772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.673772 (E_RNA) where: Base-Base interactions energy: -1222.561 where: short stacking energy: -493.470 Base-Backbone interact. energy: -2.815 local terms energy: -510.297123 where: bonds (distance) C4'-P energy: -76.694 bonds (distance) P-C4' energy: -94.835 flat angles C4'-P-C4' energy: -113.372 flat angles P-C4'-P energy: -68.455 tors. eta vs tors. theta energy: -156.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1720.278686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.278686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.278686 (E_RNA) where: Base-Base interactions energy: -1218.581 where: short stacking energy: -476.991 Base-Backbone interact. energy: 0.433 local terms energy: -502.130668 where: bonds (distance) C4'-P energy: -86.101 bonds (distance) P-C4' energy: -84.925 flat angles C4'-P-C4' energy: -111.809 flat angles P-C4'-P energy: -71.830 tors. eta vs tors. theta energy: -147.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1638.703775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.703775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.703775 (E_RNA) where: Base-Base interactions energy: -1122.642 where: short stacking energy: -457.865 Base-Backbone interact. energy: -1.088 local terms energy: -514.973749 where: bonds (distance) C4'-P energy: -93.279 bonds (distance) P-C4' energy: -87.580 flat angles C4'-P-C4' energy: -113.561 flat angles P-C4'-P energy: -69.225 tors. eta vs tors. theta energy: -151.329 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: 5, replica: 4 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1583.513627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.513627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.513627 (E_RNA) where: Base-Base interactions energy: -1091.505 where: short stacking energy: -444.589 Base-Backbone interact. energy: 1.552 local terms energy: -493.560995 where: bonds (distance) C4'-P energy: -95.944 bonds (distance) P-C4' energy: -88.653 flat angles C4'-P-C4' energy: -99.310 flat angles P-C4'-P energy: -76.812 tors. eta vs tors. theta energy: -132.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1433.788148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.788148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.788148 (E_RNA) where: Base-Base interactions energy: -1002.202 where: short stacking energy: -389.880 Base-Backbone interact. energy: -0.313 local terms energy: -431.272658 where: bonds (distance) C4'-P energy: -90.691 bonds (distance) P-C4' energy: -89.766 flat angles C4'-P-C4' energy: -86.783 flat angles P-C4'-P energy: -63.184 tors. eta vs tors. theta energy: -100.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1357.869718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.869718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.869718 (E_RNA) where: Base-Base interactions energy: -947.291 where: short stacking energy: -398.166 Base-Backbone interact. energy: 2.140 local terms energy: -412.718851 where: bonds (distance) C4'-P energy: -70.305 bonds (distance) P-C4' energy: -71.375 flat angles C4'-P-C4' energy: -91.197 flat angles P-C4'-P energy: -69.111 tors. eta vs tors. theta energy: -110.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1299.685162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.685162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.685162 (E_RNA) where: Base-Base interactions energy: -901.453 where: short stacking energy: -359.863 Base-Backbone interact. energy: -2.078 local terms energy: -396.153836 where: bonds (distance) C4'-P energy: -79.607 bonds (distance) P-C4' energy: -77.007 flat angles C4'-P-C4' energy: -85.743 flat angles P-C4'-P energy: -59.652 tors. eta vs tors. theta energy: -94.145 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: 9, replica: 9 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1112.353372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.353372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.353372 (E_RNA) where: Base-Base interactions energy: -739.114 where: short stacking energy: -318.051 Base-Backbone interact. energy: -1.390 local terms energy: -371.850052 where: bonds (distance) C4'-P energy: -74.577 bonds (distance) P-C4' energy: -65.691 flat angles C4'-P-C4' energy: -87.718 flat angles P-C4'-P energy: -69.367 tors. eta vs tors. theta energy: -74.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -748.764815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.764815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.764815 (E_RNA) where: Base-Base interactions energy: -439.998 where: short stacking energy: -215.254 Base-Backbone interact. energy: 0.026 local terms energy: -308.793198 where: bonds (distance) C4'-P energy: -77.531 bonds (distance) P-C4' energy: -83.452 flat angles C4'-P-C4' energy: -68.404 flat angles P-C4'-P energy: -47.463 tors. eta vs tors. theta energy: -31.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1826.462555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.462555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.462555 (E_RNA) where: Base-Base interactions energy: -1297.122 where: short stacking energy: -526.721 Base-Backbone interact. energy: 0.028 local terms energy: -529.368183 where: bonds (distance) C4'-P energy: -93.913 bonds (distance) P-C4' energy: -90.451 flat angles C4'-P-C4' energy: -115.071 flat angles P-C4'-P energy: -72.266 tors. eta vs tors. theta energy: -157.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1755.727180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.727180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.727180 (E_RNA) where: Base-Base interactions energy: -1221.412 where: short stacking energy: -489.291 Base-Backbone interact. energy: -1.431 local terms energy: -532.884261 where: bonds (distance) C4'-P energy: -103.994 bonds (distance) P-C4' energy: -89.407 flat angles C4'-P-C4' energy: -107.027 flat angles P-C4'-P energy: -77.762 tors. eta vs tors. theta energy: -154.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1732.501060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.501060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.501060 (E_RNA) where: Base-Base interactions energy: -1232.281 where: short stacking energy: -482.241 Base-Backbone interact. energy: -1.840 local terms energy: -498.380604 where: bonds (distance) C4'-P energy: -78.948 bonds (distance) P-C4' energy: -91.059 flat angles C4'-P-C4' energy: -112.617 flat angles P-C4'-P energy: -64.325 tors. eta vs tors. theta energy: -151.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1630.795387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.795387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.795387 (E_RNA) where: Base-Base interactions energy: -1124.960 where: short stacking energy: -467.581 Base-Backbone interact. energy: 0.349 local terms energy: -506.184572 where: bonds (distance) C4'-P energy: -82.030 bonds (distance) P-C4' energy: -95.678 flat angles C4'-P-C4' energy: -111.746 flat angles P-C4'-P energy: -75.802 tors. eta vs tors. theta energy: -140.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1579.516311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.516311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.516311 (E_RNA) where: Base-Base interactions energy: -1094.795 where: short stacking energy: -437.514 Base-Backbone interact. energy: -1.310 local terms energy: -483.410652 where: bonds (distance) C4'-P energy: -83.448 bonds (distance) P-C4' energy: -92.451 flat angles C4'-P-C4' energy: -99.804 flat angles P-C4'-P energy: -72.660 tors. eta vs tors. theta energy: -135.048 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: 6 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1449.597387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.597387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.597387 (E_RNA) where: Base-Base interactions energy: -1005.115 where: short stacking energy: -426.580 Base-Backbone interact. energy: 0.881 local terms energy: -445.363101 where: bonds (distance) C4'-P energy: -79.517 bonds (distance) P-C4' energy: -85.190 flat angles C4'-P-C4' energy: -92.065 flat angles P-C4'-P energy: -61.253 tors. eta vs tors. theta energy: -127.339 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: 7, replica: 5 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1363.795731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.795731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.795731 (E_RNA) where: Base-Base interactions energy: -930.060 where: short stacking energy: -389.973 Base-Backbone interact. energy: 2.242 local terms energy: -435.978043 where: bonds (distance) C4'-P energy: -81.953 bonds (distance) P-C4' energy: -79.340 flat angles C4'-P-C4' energy: -91.504 flat angles P-C4'-P energy: -68.343 tors. eta vs tors. theta energy: -114.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1292.861366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.861366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.861366 (E_RNA) where: Base-Base interactions energy: -884.037 where: short stacking energy: -360.836 Base-Backbone interact. energy: -1.220 local terms energy: -407.604172 where: bonds (distance) C4'-P energy: -80.816 bonds (distance) P-C4' energy: -88.818 flat angles C4'-P-C4' energy: -90.985 flat angles P-C4'-P energy: -50.071 tors. eta vs tors. theta energy: -96.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -1087.557563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.557563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.557563 (E_RNA) where: Base-Base interactions energy: -722.724 where: short stacking energy: -293.042 Base-Backbone interact. energy: -0.306 local terms energy: -364.527448 where: bonds (distance) C4'-P energy: -78.639 bonds (distance) P-C4' energy: -79.959 flat angles C4'-P-C4' energy: -76.295 flat angles P-C4'-P energy: -60.426 tors. eta vs tors. theta energy: -69.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -740.938303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.938303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.938303 (E_RNA) where: Base-Base interactions energy: -429.266 where: short stacking energy: -193.869 Base-Backbone interact. energy: -1.232 local terms energy: -310.440092 where: bonds (distance) C4'-P energy: -83.771 bonds (distance) P-C4' energy: -77.656 flat angles C4'-P-C4' energy: -76.640 flat angles P-C4'-P energy: -46.668 tors. eta vs tors. theta energy: -25.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1834.265878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.265878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.265878 (E_RNA) where: Base-Base interactions energy: -1301.621 where: short stacking energy: -519.762 Base-Backbone interact. energy: -0.426 local terms energy: -532.219630 where: bonds (distance) C4'-P energy: -96.208 bonds (distance) P-C4' energy: -104.524 flat angles C4'-P-C4' energy: -104.387 flat angles P-C4'-P energy: -73.374 tors. eta vs tors. theta energy: -153.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1759.853089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.853089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.853089 (E_RNA) where: Base-Base interactions energy: -1240.903 where: short stacking energy: -503.971 Base-Backbone interact. energy: -1.069 local terms energy: -517.881022 where: bonds (distance) C4'-P energy: -89.346 bonds (distance) P-C4' energy: -102.833 flat angles C4'-P-C4' energy: -101.782 flat angles P-C4'-P energy: -70.854 tors. eta vs tors. theta energy: -153.067 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: 2 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1719.186252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.186252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.186252 (E_RNA) where: Base-Base interactions energy: -1220.634 where: short stacking energy: -485.012 Base-Backbone interact. energy: -1.434 local terms energy: -497.118329 where: bonds (distance) C4'-P energy: -80.142 bonds (distance) P-C4' energy: -96.536 flat angles C4'-P-C4' energy: -113.226 flat angles P-C4'-P energy: -64.558 tors. eta vs tors. theta energy: -142.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1621.634405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.634405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.634405 (E_RNA) where: Base-Base interactions energy: -1113.207 where: short stacking energy: -440.899 Base-Backbone interact. energy: -1.421 local terms energy: -507.005961 where: bonds (distance) C4'-P energy: -85.669 bonds (distance) P-C4' energy: -96.630 flat angles C4'-P-C4' energy: -109.182 flat angles P-C4'-P energy: -70.077 tors. eta vs tors. theta energy: -145.448 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: 4 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1582.880981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.880981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.880981 (E_RNA) where: Base-Base interactions energy: -1101.492 where: short stacking energy: -434.167 Base-Backbone interact. energy: -1.210 local terms energy: -480.179477 where: bonds (distance) C4'-P energy: -81.864 bonds (distance) P-C4' energy: -90.292 flat angles C4'-P-C4' energy: -99.450 flat angles P-C4'-P energy: -73.743 tors. eta vs tors. theta energy: -134.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1480.457525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.457525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.457525 (E_RNA) where: Base-Base interactions energy: -1034.845 where: short stacking energy: -417.075 Base-Backbone interact. energy: -1.003 local terms energy: -444.609448 where: bonds (distance) C4'-P energy: -92.253 bonds (distance) P-C4' energy: -84.778 flat angles C4'-P-C4' energy: -95.597 flat angles P-C4'-P energy: -47.958 tors. eta vs tors. theta energy: -124.024 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: 5 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1370.908272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.908272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.908272 (E_RNA) where: Base-Base interactions energy: -949.847 where: short stacking energy: -388.252 Base-Backbone interact. energy: 3.301 local terms energy: -424.362270 where: bonds (distance) C4'-P energy: -66.558 bonds (distance) P-C4' energy: -86.993 flat angles C4'-P-C4' energy: -92.997 flat angles P-C4'-P energy: -54.041 tors. eta vs tors. theta energy: -123.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1314.937971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.937971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.937971 (E_RNA) where: Base-Base interactions energy: -872.152 where: short stacking energy: -355.845 Base-Backbone interact. energy: 0.051 local terms energy: -442.837190 where: bonds (distance) C4'-P energy: -92.387 bonds (distance) P-C4' energy: -88.984 flat angles C4'-P-C4' energy: -93.261 flat angles P-C4'-P energy: -65.001 tors. eta vs tors. theta energy: -103.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -1112.900683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.900683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.900683 (E_RNA) where: Base-Base interactions energy: -742.594 where: short stacking energy: -332.232 Base-Backbone interact. energy: -1.179 local terms energy: -369.128418 where: bonds (distance) C4'-P energy: -71.214 bonds (distance) P-C4' energy: -87.763 flat angles C4'-P-C4' energy: -81.339 flat angles P-C4'-P energy: -49.520 tors. eta vs tors. theta energy: -79.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -722.777143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.777143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.777143 (E_RNA) where: Base-Base interactions energy: -432.203 where: short stacking energy: -199.432 Base-Backbone interact. energy: 1.798 local terms energy: -292.372252 where: bonds (distance) C4'-P energy: -61.918 bonds (distance) P-C4' energy: -81.990 flat angles C4'-P-C4' energy: -77.925 flat angles P-C4'-P energy: -45.671 tors. eta vs tors. theta energy: -24.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1815.977975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.977975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.977975 (E_RNA) where: Base-Base interactions energy: -1276.812 where: short stacking energy: -525.953 Base-Backbone interact. energy: 1.437 local terms energy: -540.603181 where: bonds (distance) C4'-P energy: -102.907 bonds (distance) P-C4' energy: -88.962 flat angles C4'-P-C4' energy: -109.372 flat angles P-C4'-P energy: -83.186 tors. eta vs tors. theta energy: -156.176 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: 8 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1763.805160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.805160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.805160 (E_RNA) where: Base-Base interactions energy: -1231.702 where: short stacking energy: -509.438 Base-Backbone interact. energy: -1.496 local terms energy: -530.607017 where: bonds (distance) C4'-P energy: -92.886 bonds (distance) P-C4' energy: -97.181 flat angles C4'-P-C4' energy: -109.842 flat angles P-C4'-P energy: -82.319 tors. eta vs tors. theta energy: -148.380 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: 231 Temperature: 1.000000 Total energy: -1739.109468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.109468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.109468 (E_RNA) where: Base-Base interactions energy: -1224.639 where: short stacking energy: -488.443 Base-Backbone interact. energy: -0.395 local terms energy: -514.075848 where: bonds (distance) C4'-P energy: -85.550 bonds (distance) P-C4' energy: -87.769 flat angles C4'-P-C4' energy: -103.034 flat angles P-C4'-P energy: -84.394 tors. eta vs tors. theta energy: -153.330 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: 4 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1621.929248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.929248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.929248 (E_RNA) where: Base-Base interactions energy: -1125.549 where: short stacking energy: -455.541 Base-Backbone interact. energy: -0.095 local terms energy: -496.285555 where: bonds (distance) C4'-P energy: -86.453 bonds (distance) P-C4' energy: -80.403 flat angles C4'-P-C4' energy: -117.513 flat angles P-C4'-P energy: -70.321 tors. eta vs tors. theta energy: -141.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1585.949830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.949830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.949830 (E_RNA) where: Base-Base interactions energy: -1091.987 where: short stacking energy: -437.639 Base-Backbone interact. energy: 1.437 local terms energy: -495.399786 where: bonds (distance) C4'-P energy: -96.464 bonds (distance) P-C4' energy: -84.616 flat angles C4'-P-C4' energy: -95.696 flat angles P-C4'-P energy: -71.488 tors. eta vs tors. theta energy: -147.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1458.213111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.213111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.213111 (E_RNA) where: Base-Base interactions energy: -998.660 where: short stacking energy: -404.464 Base-Backbone interact. energy: 0.762 local terms energy: -460.314754 where: bonds (distance) C4'-P energy: -93.643 bonds (distance) P-C4' energy: -78.881 flat angles C4'-P-C4' energy: -102.413 flat angles P-C4'-P energy: -61.262 tors. eta vs tors. theta energy: -124.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1383.220703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.220703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.220703 (E_RNA) where: Base-Base interactions energy: -964.114 where: short stacking energy: -398.961 Base-Backbone interact. energy: -0.468 local terms energy: -418.638684 where: bonds (distance) C4'-P energy: -82.709 bonds (distance) P-C4' energy: -68.283 flat angles C4'-P-C4' energy: -103.285 flat angles P-C4'-P energy: -54.065 tors. eta vs tors. theta energy: -110.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1261.612587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.612587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.612587 (E_RNA) where: Base-Base interactions energy: -843.635 where: short stacking energy: -360.737 Base-Backbone interact. energy: -0.645 local terms energy: -417.332752 where: bonds (distance) C4'-P energy: -71.567 bonds (distance) P-C4' energy: -84.943 flat angles C4'-P-C4' energy: -96.125 flat angles P-C4'-P energy: -66.374 tors. eta vs tors. theta energy: -98.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -1089.713970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.713970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.713970 (E_RNA) where: Base-Base interactions energy: -725.461 where: short stacking energy: -286.470 Base-Backbone interact. energy: -1.550 local terms energy: -362.703057 where: bonds (distance) C4'-P energy: -83.282 bonds (distance) P-C4' energy: -81.031 flat angles C4'-P-C4' energy: -82.118 flat angles P-C4'-P energy: -44.919 tors. eta vs tors. theta energy: -71.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -749.441043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.441043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.441043 (E_RNA) where: Base-Base interactions energy: -444.551 where: short stacking energy: -186.203 Base-Backbone interact. energy: -0.495 local terms energy: -304.395381 where: bonds (distance) C4'-P energy: -75.129 bonds (distance) P-C4' energy: -84.178 flat angles C4'-P-C4' energy: -71.813 flat angles P-C4'-P energy: -45.345 tors. eta vs tors. theta energy: -27.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1828.046786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.046786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.046786 (E_RNA) where: Base-Base interactions energy: -1300.112 where: short stacking energy: -524.671 Base-Backbone interact. energy: 0.454 local terms energy: -528.389397 where: bonds (distance) C4'-P energy: -89.087 bonds (distance) P-C4' energy: -94.015 flat angles C4'-P-C4' energy: -109.725 flat angles P-C4'-P energy: -77.283 tors. eta vs tors. theta energy: -158.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1764.265619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.265619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.265619 (E_RNA) where: Base-Base interactions energy: -1247.858 where: short stacking energy: -500.102 Base-Backbone interact. energy: -0.186 local terms energy: -516.221659 where: bonds (distance) C4'-P energy: -88.000 bonds (distance) P-C4' energy: -89.810 flat angles C4'-P-C4' energy: -111.332 flat angles P-C4'-P energy: -75.881 tors. eta vs tors. theta energy: -151.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1733.492535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.492535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.492535 (E_RNA) where: Base-Base interactions energy: -1232.657 where: short stacking energy: -486.961 Base-Backbone interact. energy: -1.630 local terms energy: -499.205617 where: bonds (distance) C4'-P energy: -95.783 bonds (distance) P-C4' energy: -89.174 flat angles C4'-P-C4' energy: -105.805 flat angles P-C4'-P energy: -57.819 tors. eta vs tors. theta energy: -150.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1612.173426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.173426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.173426 (E_RNA) where: Base-Base interactions energy: -1148.291 where: short stacking energy: -468.339 Base-Backbone interact. energy: -1.490 local terms energy: -462.391879 where: bonds (distance) C4'-P energy: -86.931 bonds (distance) P-C4' energy: -64.519 flat angles C4'-P-C4' energy: -107.482 flat angles P-C4'-P energy: -70.714 tors. eta vs tors. theta energy: -132.746 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: 7 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1639.503839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.503839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.503839 (E_RNA) where: Base-Base interactions energy: -1126.336 where: short stacking energy: -474.270 Base-Backbone interact. energy: -0.035 local terms energy: -513.133327 where: bonds (distance) C4'-P energy: -91.491 bonds (distance) P-C4' energy: -101.444 flat angles C4'-P-C4' energy: -103.602 flat angles P-C4'-P energy: -66.843 tors. eta vs tors. theta energy: -149.753 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: 6, replica: 6 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1463.933449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.933449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.933449 (E_RNA) where: Base-Base interactions energy: -1036.897 where: short stacking energy: -414.354 Base-Backbone interact. energy: -0.090 local terms energy: -426.946222 where: bonds (distance) C4'-P energy: -80.564 bonds (distance) P-C4' energy: -84.428 flat angles C4'-P-C4' energy: -86.912 flat angles P-C4'-P energy: -51.916 tors. eta vs tors. theta energy: -123.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1405.855754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.855754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.855754 (E_RNA) where: Base-Base interactions energy: -949.298 where: short stacking energy: -401.877 Base-Backbone interact. energy: -1.646 local terms energy: -454.911506 where: bonds (distance) C4'-P energy: -85.807 bonds (distance) P-C4' energy: -85.415 flat angles C4'-P-C4' energy: -105.852 flat angles P-C4'-P energy: -64.142 tors. eta vs tors. theta energy: -113.697 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: 232 Temperature: 1.250000 Total energy: -1252.585300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.585300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.585300 (E_RNA) where: Base-Base interactions energy: -848.661 where: short stacking energy: -361.055 Base-Backbone interact. energy: -0.066 local terms energy: -403.857845 where: bonds (distance) C4'-P energy: -83.118 bonds (distance) P-C4' energy: -71.938 flat angles C4'-P-C4' energy: -88.152 flat angles P-C4'-P energy: -67.239 tors. eta vs tors. theta energy: -93.412 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: 9, replica: 9 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -1119.530809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.530809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.530809 (E_RNA) where: Base-Base interactions energy: -721.759 where: short stacking energy: -314.018 Base-Backbone interact. energy: 1.393 local terms energy: -399.164730 where: bonds (distance) C4'-P energy: -81.798 bonds (distance) P-C4' energy: -81.551 flat angles C4'-P-C4' energy: -98.779 flat angles P-C4'-P energy: -48.354 tors. eta vs tors. theta energy: -88.683 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: 10 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -783.414640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.414640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.414640 (E_RNA) where: Base-Base interactions energy: -453.962 where: short stacking energy: -215.580 Base-Backbone interact. energy: -0.485 local terms energy: -328.967246 where: bonds (distance) C4'-P energy: -65.248 bonds (distance) P-C4' energy: -94.267 flat angles C4'-P-C4' energy: -69.193 flat angles P-C4'-P energy: -58.762 tors. eta vs tors. theta energy: -41.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1836.700413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.700413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.700413 (E_RNA) where: Base-Base interactions energy: -1296.522 where: short stacking energy: -528.260 Base-Backbone interact. energy: -0.012 local terms energy: -540.166329 where: bonds (distance) C4'-P energy: -100.449 bonds (distance) P-C4' energy: -95.862 flat angles C4'-P-C4' energy: -101.747 flat angles P-C4'-P energy: -78.331 tors. eta vs tors. theta energy: -163.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1751.682472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.682472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.682472 (E_RNA) where: Base-Base interactions energy: -1246.422 where: short stacking energy: -490.532 Base-Backbone interact. energy: 0.918 local terms energy: -506.178671 where: bonds (distance) C4'-P energy: -82.915 bonds (distance) P-C4' energy: -93.253 flat angles C4'-P-C4' energy: -102.166 flat angles P-C4'-P energy: -74.823 tors. eta vs tors. theta energy: -153.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1701.201071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.201071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.201071 (E_RNA) where: Base-Base interactions energy: -1209.027 where: short stacking energy: -479.371 Base-Backbone interact. energy: -1.048 local terms energy: -491.126311 where: bonds (distance) C4'-P energy: -84.477 bonds (distance) P-C4' energy: -83.402 flat angles C4'-P-C4' energy: -111.119 flat angles P-C4'-P energy: -72.717 tors. eta vs tors. theta energy: -139.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1600.897507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.897507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.897507 (E_RNA) where: Base-Base interactions energy: -1118.844 where: short stacking energy: -475.798 Base-Backbone interact. energy: 2.767 local terms energy: -484.820477 where: bonds (distance) C4'-P energy: -82.604 bonds (distance) P-C4' energy: -87.438 flat angles C4'-P-C4' energy: -105.558 flat angles P-C4'-P energy: -72.841 tors. eta vs tors. theta energy: -136.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1573.388142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.388142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.388142 (E_RNA) where: Base-Base interactions energy: -1106.335 where: short stacking energy: -444.335 Base-Backbone interact. energy: 0.429 local terms energy: -467.481415 where: bonds (distance) C4'-P energy: -66.928 bonds (distance) P-C4' energy: -88.425 flat angles C4'-P-C4' energy: -106.171 flat angles P-C4'-P energy: -74.580 tors. eta vs tors. theta energy: -131.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1464.848070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.848070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.848070 (E_RNA) where: Base-Base interactions energy: -1019.485 where: short stacking energy: -393.802 Base-Backbone interact. energy: 1.540 local terms energy: -446.903469 where: bonds (distance) C4'-P energy: -77.859 bonds (distance) P-C4' energy: -87.233 flat angles C4'-P-C4' energy: -98.797 flat angles P-C4'-P energy: -61.543 tors. eta vs tors. theta energy: -121.473 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: 7, replica: 5 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1382.485188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.485188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.485188 (E_RNA) where: Base-Base interactions energy: -941.211 where: short stacking energy: -395.971 Base-Backbone interact. energy: 1.008 local terms energy: -442.281520 where: bonds (distance) C4'-P energy: -92.890 bonds (distance) P-C4' energy: -81.519 flat angles C4'-P-C4' energy: -93.647 flat angles P-C4'-P energy: -62.129 tors. eta vs tors. theta energy: -112.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1285.272898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.272898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.272898 (E_RNA) where: Base-Base interactions energy: -854.363 where: short stacking energy: -357.037 Base-Backbone interact. energy: -1.853 local terms energy: -429.057164 where: bonds (distance) C4'-P energy: -79.958 bonds (distance) P-C4' energy: -93.007 flat angles C4'-P-C4' energy: -92.974 flat angles P-C4'-P energy: -65.433 tors. eta vs tors. theta energy: -97.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -1129.517817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.517817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.517817 (E_RNA) where: Base-Base interactions energy: -754.263 where: short stacking energy: -330.278 Base-Backbone interact. energy: 0.009 local terms energy: -375.264652 where: bonds (distance) C4'-P energy: -61.010 bonds (distance) P-C4' energy: -86.393 flat angles C4'-P-C4' energy: -87.344 flat angles P-C4'-P energy: -55.971 tors. eta vs tors. theta energy: -84.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -776.001332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.001332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.001332 (E_RNA) where: Base-Base interactions energy: -450.088 where: short stacking energy: -219.797 Base-Backbone interact. energy: -0.208 local terms energy: -325.705149 where: bonds (distance) C4'-P energy: -81.443 bonds (distance) P-C4' energy: -94.394 flat angles C4'-P-C4' energy: -75.319 flat angles P-C4'-P energy: -36.928 tors. eta vs tors. theta energy: -37.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1823.273043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.273043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.273043 (E_RNA) where: Base-Base interactions energy: -1266.094 where: short stacking energy: -523.328 Base-Backbone interact. energy: -0.548 local terms energy: -556.631206 where: bonds (distance) C4'-P energy: -108.045 bonds (distance) P-C4' energy: -98.675 flat angles C4'-P-C4' energy: -113.449 flat angles P-C4'-P energy: -75.143 tors. eta vs tors. theta energy: -161.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1738.742895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.742895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.742895 (E_RNA) where: Base-Base interactions energy: -1234.262 where: short stacking energy: -492.498 Base-Backbone interact. energy: 0.111 local terms energy: -504.591855 where: bonds (distance) C4'-P energy: -90.124 bonds (distance) P-C4' energy: -96.480 flat angles C4'-P-C4' energy: -104.968 flat angles P-C4'-P energy: -65.984 tors. eta vs tors. theta energy: -147.034 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: 2 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1700.380857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.380857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.380857 (E_RNA) where: Base-Base interactions energy: -1178.142 where: short stacking energy: -486.716 Base-Backbone interact. energy: -0.590 local terms energy: -521.649284 where: bonds (distance) C4'-P energy: -96.226 bonds (distance) P-C4' energy: -93.776 flat angles C4'-P-C4' energy: -111.749 flat angles P-C4'-P energy: -78.400 tors. eta vs tors. theta energy: -141.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1588.590046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.590046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.590046 (E_RNA) where: Base-Base interactions energy: -1087.156 where: short stacking energy: -453.206 Base-Backbone interact. energy: -0.210 local terms energy: -501.223965 where: bonds (distance) C4'-P energy: -97.676 bonds (distance) P-C4' energy: -97.854 flat angles C4'-P-C4' energy: -111.475 flat angles P-C4'-P energy: -62.886 tors. eta vs tors. theta energy: -131.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1561.513472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.513472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.513472 (E_RNA) where: Base-Base interactions energy: -1076.263 where: short stacking energy: -466.445 Base-Backbone interact. energy: -1.147 local terms energy: -484.103176 where: bonds (distance) C4'-P energy: -92.319 bonds (distance) P-C4' energy: -81.616 flat angles C4'-P-C4' energy: -101.372 flat angles P-C4'-P energy: -68.675 tors. eta vs tors. theta energy: -140.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1487.446833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.446833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.446833 (E_RNA) where: Base-Base interactions energy: -1046.433 where: short stacking energy: -418.684 Base-Backbone interact. energy: -0.253 local terms energy: -440.760276 where: bonds (distance) C4'-P energy: -75.996 bonds (distance) P-C4' energy: -86.162 flat angles C4'-P-C4' energy: -88.816 flat angles P-C4'-P energy: -69.052 tors. eta vs tors. theta energy: -120.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1395.942550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.942550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.942550 (E_RNA) where: Base-Base interactions energy: -953.226 where: short stacking energy: -396.371 Base-Backbone interact. energy: -1.901 local terms energy: -440.814719 where: bonds (distance) C4'-P energy: -83.420 bonds (distance) P-C4' energy: -73.556 flat angles C4'-P-C4' energy: -104.376 flat angles P-C4'-P energy: -54.749 tors. eta vs tors. theta energy: -124.713 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: 8, replica: 1 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1285.080392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.080392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.080392 (E_RNA) where: Base-Base interactions energy: -893.696 where: short stacking energy: -361.962 Base-Backbone interact. energy: -1.372 local terms energy: -390.012556 where: bonds (distance) C4'-P energy: -71.394 bonds (distance) P-C4' energy: -79.449 flat angles C4'-P-C4' energy: -82.440 flat angles P-C4'-P energy: -62.882 tors. eta vs tors. theta energy: -93.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -1107.786283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.786283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.786283 (E_RNA) where: Base-Base interactions energy: -749.270 where: short stacking energy: -313.163 Base-Backbone interact. energy: -0.402 local terms energy: -358.114721 where: bonds (distance) C4'-P energy: -63.175 bonds (distance) P-C4' energy: -72.370 flat angles C4'-P-C4' energy: -85.435 flat angles P-C4'-P energy: -56.741 tors. eta vs tors. theta energy: -80.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -758.733648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.733648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.733648 (E_RNA) where: Base-Base interactions energy: -466.434 where: short stacking energy: -205.677 Base-Backbone interact. energy: 0.685 local terms energy: -292.984648 where: bonds (distance) C4'-P energy: -66.978 bonds (distance) P-C4' energy: -82.353 flat angles C4'-P-C4' energy: -63.158 flat angles P-C4'-P energy: -51.370 tors. eta vs tors. theta energy: -29.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1822.173566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.173566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.173566 (E_RNA) where: Base-Base interactions energy: -1283.462 where: short stacking energy: -507.641 Base-Backbone interact. energy: -0.036 local terms energy: -538.675738 where: bonds (distance) C4'-P energy: -95.564 bonds (distance) P-C4' energy: -90.344 flat angles C4'-P-C4' energy: -113.117 flat angles P-C4'-P energy: -81.701 tors. eta vs tors. theta energy: -157.949 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: 8 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1753.258014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.258014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.258014 (E_RNA) where: Base-Base interactions energy: -1235.111 where: short stacking energy: -487.137 Base-Backbone interact. energy: -0.597 local terms energy: -517.549851 where: bonds (distance) C4'-P energy: -92.257 bonds (distance) P-C4' energy: -87.355 flat angles C4'-P-C4' energy: -111.836 flat angles P-C4'-P energy: -76.657 tors. eta vs tors. theta energy: -149.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1713.892111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.892111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.892111 (E_RNA) where: Base-Base interactions energy: -1203.184 where: short stacking energy: -493.010 Base-Backbone interact. energy: -1.559 local terms energy: -509.149316 where: bonds (distance) C4'-P energy: -87.567 bonds (distance) P-C4' energy: -95.907 flat angles C4'-P-C4' energy: -106.229 flat angles P-C4'-P energy: -71.437 tors. eta vs tors. theta energy: -148.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1602.438786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.438786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.438786 (E_RNA) where: Base-Base interactions energy: -1112.285 where: short stacking energy: -463.714 Base-Backbone interact. energy: -0.162 local terms energy: -489.991173 where: bonds (distance) C4'-P energy: -88.999 bonds (distance) P-C4' energy: -81.052 flat angles C4'-P-C4' energy: -105.658 flat angles P-C4'-P energy: -75.489 tors. eta vs tors. theta energy: -138.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1551.388443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.388443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.388443 (E_RNA) where: Base-Base interactions energy: -1084.382 where: short stacking energy: -443.815 Base-Backbone interact. energy: -2.491 local terms energy: -464.514980 where: bonds (distance) C4'-P energy: -75.904 bonds (distance) P-C4' energy: -82.449 flat angles C4'-P-C4' energy: -99.921 flat angles P-C4'-P energy: -74.631 tors. eta vs tors. theta energy: -131.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1461.205347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.205347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.205347 (E_RNA) where: Base-Base interactions energy: -1010.049 where: short stacking energy: -395.804 Base-Backbone interact. energy: -0.975 local terms energy: -450.181844 where: bonds (distance) C4'-P energy: -87.010 bonds (distance) P-C4' energy: -79.431 flat angles C4'-P-C4' energy: -98.257 flat angles P-C4'-P energy: -69.224 tors. eta vs tors. theta energy: -116.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1361.702682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.702682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.702682 (E_RNA) where: Base-Base interactions energy: -953.654 where: short stacking energy: -388.790 Base-Backbone interact. energy: -1.269 local terms energy: -406.779759 where: bonds (distance) C4'-P energy: -71.489 bonds (distance) P-C4' energy: -66.704 flat angles C4'-P-C4' energy: -97.919 flat angles P-C4'-P energy: -62.573 tors. eta vs tors. theta energy: -108.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1296.297117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.297117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.297117 (E_RNA) where: Base-Base interactions energy: -896.712 where: short stacking energy: -374.543 Base-Backbone interact. energy: -1.171 local terms energy: -398.413749 where: bonds (distance) C4'-P energy: -81.923 bonds (distance) P-C4' energy: -70.601 flat angles C4'-P-C4' energy: -87.589 flat angles P-C4'-P energy: -51.489 tors. eta vs tors. theta energy: -106.812 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: 9 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -1099.094835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.094835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.094835 (E_RNA) where: Base-Base interactions energy: -720.088 where: short stacking energy: -309.371 Base-Backbone interact. energy: 0.834 local terms energy: -379.840447 where: bonds (distance) C4'-P energy: -69.038 bonds (distance) P-C4' energy: -70.467 flat angles C4'-P-C4' energy: -99.386 flat angles P-C4'-P energy: -58.217 tors. eta vs tors. theta energy: -82.732 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: 10 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -787.869521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.869521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.869521 (E_RNA) where: Base-Base interactions energy: -473.086 where: short stacking energy: -248.660 Base-Backbone interact. energy: -1.489 local terms energy: -313.293807 where: bonds (distance) C4'-P energy: -66.034 bonds (distance) P-C4' energy: -78.220 flat angles C4'-P-C4' energy: -72.663 flat angles P-C4'-P energy: -40.588 tors. eta vs tors. theta energy: -55.790 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: 3 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1811.977554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.977554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.977554 (E_RNA) where: Base-Base interactions energy: -1266.393 where: short stacking energy: -524.471 Base-Backbone interact. energy: 4.702 local terms energy: -550.286873 where: bonds (distance) C4'-P energy: -98.435 bonds (distance) P-C4' energy: -108.141 flat angles C4'-P-C4' energy: -110.165 flat angles P-C4'-P energy: -82.285 tors. eta vs tors. theta energy: -151.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1760.144509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.144509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.144509 (E_RNA) where: Base-Base interactions energy: -1236.476 where: short stacking energy: -491.959 Base-Backbone interact. energy: 2.603 local terms energy: -526.270842 where: bonds (distance) C4'-P energy: -89.153 bonds (distance) P-C4' energy: -104.283 flat angles C4'-P-C4' energy: -110.275 flat angles P-C4'-P energy: -74.045 tors. eta vs tors. theta energy: -148.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1709.471792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.471792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.471792 (E_RNA) where: Base-Base interactions energy: -1186.407 where: short stacking energy: -485.748 Base-Backbone interact. energy: -2.035 local terms energy: -521.030107 where: bonds (distance) C4'-P energy: -94.070 bonds (distance) P-C4' energy: -93.923 flat angles C4'-P-C4' energy: -108.100 flat angles P-C4'-P energy: -72.742 tors. eta vs tors. theta energy: -152.194 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: 4, replica: 7 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1618.341462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.341462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.341462 (E_RNA) where: Base-Base interactions energy: -1104.020 where: short stacking energy: -475.009 Base-Backbone interact. energy: -1.111 local terms energy: -513.210571 where: bonds (distance) C4'-P energy: -90.623 bonds (distance) P-C4' energy: -89.384 flat angles C4'-P-C4' energy: -109.506 flat angles P-C4'-P energy: -64.906 tors. eta vs tors. theta energy: -158.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1563.669797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.669797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.669797 (E_RNA) where: Base-Base interactions energy: -1104.685 where: short stacking energy: -454.405 Base-Backbone interact. energy: -1.504 local terms energy: -457.480560 where: bonds (distance) C4'-P energy: -93.373 bonds (distance) P-C4' energy: -76.669 flat angles C4'-P-C4' energy: -98.319 flat angles P-C4'-P energy: -55.676 tors. eta vs tors. theta energy: -133.443 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: 6 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1408.333685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.333685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.333685 (E_RNA) where: Base-Base interactions energy: -995.088 where: short stacking energy: -393.068 Base-Backbone interact. energy: -0.513 local terms energy: -412.732553 where: bonds (distance) C4'-P energy: -78.651 bonds (distance) P-C4' energy: -64.552 flat angles C4'-P-C4' energy: -85.170 flat angles P-C4'-P energy: -77.360 tors. eta vs tors. theta energy: -107.000 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: 5 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1419.413756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.413756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.413756 (E_RNA) where: Base-Base interactions energy: -978.758 where: short stacking energy: -385.401 Base-Backbone interact. energy: -1.751 local terms energy: -438.904598 where: bonds (distance) C4'-P energy: -95.410 bonds (distance) P-C4' energy: -81.947 flat angles C4'-P-C4' energy: -88.847 flat angles P-C4'-P energy: -60.010 tors. eta vs tors. theta energy: -112.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1263.933460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.933460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.933460 (E_RNA) where: Base-Base interactions energy: -866.781 where: short stacking energy: -349.193 Base-Backbone interact. energy: -2.302 local terms energy: -394.850360 where: bonds (distance) C4'-P energy: -75.475 bonds (distance) P-C4' energy: -82.734 flat angles C4'-P-C4' energy: -89.029 flat angles P-C4'-P energy: -56.615 tors. eta vs tors. theta energy: -90.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -1119.793464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.793464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.793464 (E_RNA) where: Base-Base interactions energy: -739.374 where: short stacking energy: -282.530 Base-Backbone interact. energy: 0.937 local terms energy: -381.355640 where: bonds (distance) C4'-P energy: -89.668 bonds (distance) P-C4' energy: -77.185 flat angles C4'-P-C4' energy: -91.001 flat angles P-C4'-P energy: -47.835 tors. eta vs tors. theta energy: -75.666 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: 10, replica: 10 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -751.136515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.136515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.136515 (E_RNA) where: Base-Base interactions energy: -447.543 where: short stacking energy: -226.970 Base-Backbone interact. energy: 5.118 local terms energy: -308.711483 where: bonds (distance) C4'-P energy: -71.403 bonds (distance) P-C4' energy: -72.010 flat angles C4'-P-C4' energy: -82.146 flat angles P-C4'-P energy: -41.980 tors. eta vs tors. theta energy: -41.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1828.162962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.162962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.162962 (E_RNA) where: Base-Base interactions energy: -1273.978 where: short stacking energy: -507.616 Base-Backbone interact. energy: -1.755 local terms energy: -552.430447 where: bonds (distance) C4'-P energy: -107.234 bonds (distance) P-C4' energy: -97.653 flat angles C4'-P-C4' energy: -111.583 flat angles P-C4'-P energy: -79.120 tors. eta vs tors. theta energy: -156.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1773.129435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.129435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.129435 (E_RNA) where: Base-Base interactions energy: -1251.941 where: short stacking energy: -500.249 Base-Backbone interact. energy: -0.806 local terms energy: -520.382718 where: bonds (distance) C4'-P energy: -91.859 bonds (distance) P-C4' energy: -92.579 flat angles C4'-P-C4' energy: -108.127 flat angles P-C4'-P energy: -80.916 tors. eta vs tors. theta energy: -146.901 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: 2 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1731.623028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.623028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.623028 (E_RNA) where: Base-Base interactions energy: -1215.070 where: short stacking energy: -486.096 Base-Backbone interact. energy: 0.932 local terms energy: -517.485107 where: bonds (distance) C4'-P energy: -87.117 bonds (distance) P-C4' energy: -100.042 flat angles C4'-P-C4' energy: -106.485 flat angles P-C4'-P energy: -76.209 tors. eta vs tors. theta energy: -147.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1607.430599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.430599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.430599 (E_RNA) where: Base-Base interactions energy: -1109.925 where: short stacking energy: -468.703 Base-Backbone interact. energy: -0.040 local terms energy: -497.465534 where: bonds (distance) C4'-P energy: -93.274 bonds (distance) P-C4' energy: -85.183 flat angles C4'-P-C4' energy: -105.222 flat angles P-C4'-P energy: -71.047 tors. eta vs tors. theta energy: -142.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1562.450345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.450345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.450345 (E_RNA) where: Base-Base interactions energy: -1097.464 where: short stacking energy: -434.765 Base-Backbone interact. energy: -1.905 local terms energy: -463.081494 where: bonds (distance) C4'-P energy: -93.788 bonds (distance) P-C4' energy: -81.755 flat angles C4'-P-C4' energy: -98.589 flat angles P-C4'-P energy: -58.575 tors. eta vs tors. theta energy: -130.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1479.922887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.922887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.922887 (E_RNA) where: Base-Base interactions energy: -1031.307 where: short stacking energy: -409.403 Base-Backbone interact. energy: -1.324 local terms energy: -447.291595 where: bonds (distance) C4'-P energy: -74.927 bonds (distance) P-C4' energy: -92.435 flat angles C4'-P-C4' energy: -104.593 flat angles P-C4'-P energy: -56.842 tors. eta vs tors. theta energy: -118.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1355.654547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.654547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.654547 (E_RNA) where: Base-Base interactions energy: -938.713 where: short stacking energy: -387.683 Base-Backbone interact. energy: -1.184 local terms energy: -415.758206 where: bonds (distance) C4'-P energy: -87.577 bonds (distance) P-C4' energy: -67.971 flat angles C4'-P-C4' energy: -93.890 flat angles P-C4'-P energy: -56.416 tors. eta vs tors. theta energy: -109.904 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: 8, replica: 1 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1258.984402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.984402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.984402 (E_RNA) where: Base-Base interactions energy: -869.891 where: short stacking energy: -355.498 Base-Backbone interact. energy: -0.744 local terms energy: -388.349504 where: bonds (distance) C4'-P energy: -65.061 bonds (distance) P-C4' energy: -66.101 flat angles C4'-P-C4' energy: -100.001 flat angles P-C4'-P energy: -67.157 tors. eta vs tors. theta energy: -90.030 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: 9, replica: 9 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -1124.337168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.337168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.337168 (E_RNA) where: Base-Base interactions energy: -761.461 where: short stacking energy: -321.728 Base-Backbone interact. energy: 2.180 local terms energy: -365.056304 where: bonds (distance) C4'-P energy: -83.609 bonds (distance) P-C4' energy: -74.632 flat angles C4'-P-C4' energy: -79.125 flat angles P-C4'-P energy: -46.993 tors. eta vs tors. theta energy: -80.698 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: 10 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -744.973730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.973730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.973730 (E_RNA) where: Base-Base interactions energy: -448.893 where: short stacking energy: -207.865 Base-Backbone interact. energy: 0.028 local terms energy: -296.109148 where: bonds (distance) C4'-P energy: -65.367 bonds (distance) P-C4' energy: -76.416 flat angles C4'-P-C4' energy: -72.600 flat angles P-C4'-P energy: -48.377 tors. eta vs tors. theta energy: -33.349 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: 3 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1809.472180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.472180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.472180 (E_RNA) where: Base-Base interactions energy: -1272.266 where: short stacking energy: -520.828 Base-Backbone interact. energy: 0.783 local terms energy: -537.988908 where: bonds (distance) C4'-P energy: -88.622 bonds (distance) P-C4' energy: -94.858 flat angles C4'-P-C4' energy: -116.090 flat angles P-C4'-P energy: -83.022 tors. eta vs tors. theta energy: -155.397 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: 8 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1769.361734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.361734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.361734 (E_RNA) where: Base-Base interactions energy: -1220.246 where: short stacking energy: -486.379 Base-Backbone interact. energy: -0.948 local terms energy: -548.167720 where: bonds (distance) C4'-P energy: -101.466 bonds (distance) P-C4' energy: -104.992 flat angles C4'-P-C4' energy: -106.651 flat angles P-C4'-P energy: -71.247 tors. eta vs tors. theta energy: -163.811 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: 2 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1705.737809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.737809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.737809 (E_RNA) where: Base-Base interactions energy: -1215.181 where: short stacking energy: -472.134 Base-Backbone interact. energy: 0.727 local terms energy: -491.284320 where: bonds (distance) C4'-P energy: -84.561 bonds (distance) P-C4' energy: -98.675 flat angles C4'-P-C4' energy: -102.299 flat angles P-C4'-P energy: -60.559 tors. eta vs tors. theta energy: -145.190 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: 7 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1617.459329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.459329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.459329 (E_RNA) where: Base-Base interactions energy: -1119.982 where: short stacking energy: -457.322 Base-Backbone interact. energy: 0.416 local terms energy: -497.892717 where: bonds (distance) C4'-P energy: -77.678 bonds (distance) P-C4' energy: -83.847 flat angles C4'-P-C4' energy: -115.938 flat angles P-C4'-P energy: -80.241 tors. eta vs tors. theta energy: -140.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1552.720738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.720738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.720738 (E_RNA) where: Base-Base interactions energy: -1073.210 where: short stacking energy: -437.968 Base-Backbone interact. energy: -3.012 local terms energy: -476.498955 where: bonds (distance) C4'-P energy: -90.634 bonds (distance) P-C4' energy: -88.211 flat angles C4'-P-C4' energy: -105.896 flat angles P-C4'-P energy: -58.736 tors. eta vs tors. theta energy: -133.022 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: 5 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1453.924052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.924052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.924052 (E_RNA) where: Base-Base interactions energy: -1018.176 where: short stacking energy: -426.399 Base-Backbone interact. energy: -1.315 local terms energy: -434.432726 where: bonds (distance) C4'-P energy: -73.386 bonds (distance) P-C4' energy: -81.048 flat angles C4'-P-C4' energy: -89.794 flat angles P-C4'-P energy: -62.157 tors. eta vs tors. theta energy: -128.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1353.270803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.270803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.270803 (E_RNA) where: Base-Base interactions energy: -905.217 where: short stacking energy: -371.706 Base-Backbone interact. energy: -1.883 local terms energy: -446.170751 where: bonds (distance) C4'-P energy: -85.622 bonds (distance) P-C4' energy: -80.840 flat angles C4'-P-C4' energy: -91.148 flat angles P-C4'-P energy: -67.761 tors. eta vs tors. theta energy: -120.800 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: 1 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1237.377163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.377163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.377163 (E_RNA) where: Base-Base interactions energy: -838.273 where: short stacking energy: -346.291 Base-Backbone interact. energy: 0.717 local terms energy: -399.820793 where: bonds (distance) C4'-P energy: -77.898 bonds (distance) P-C4' energy: -79.292 flat angles C4'-P-C4' energy: -90.752 flat angles P-C4'-P energy: -61.231 tors. eta vs tors. theta energy: -90.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -1086.096133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.096133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.096133 (E_RNA) where: Base-Base interactions energy: -733.607 where: short stacking energy: -298.942 Base-Backbone interact. energy: 0.815 local terms energy: -353.303889 where: bonds (distance) C4'-P energy: -76.143 bonds (distance) P-C4' energy: -75.493 flat angles C4'-P-C4' energy: -65.148 flat angles P-C4'-P energy: -62.265 tors. eta vs tors. theta energy: -74.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -750.639861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.639861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.639861 (E_RNA) where: Base-Base interactions energy: -442.451 where: short stacking energy: -226.374 Base-Backbone interact. energy: 5.908 local terms energy: -314.096574 where: bonds (distance) C4'-P energy: -76.601 bonds (distance) P-C4' energy: -88.496 flat angles C4'-P-C4' energy: -84.040 flat angles P-C4'-P energy: -32.717 tors. eta vs tors. theta energy: -32.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1819.004500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.004500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.004500 (E_RNA) where: Base-Base interactions energy: -1275.306 where: short stacking energy: -523.754 Base-Backbone interact. energy: -1.620 local terms energy: -542.078411 where: bonds (distance) C4'-P energy: -92.818 bonds (distance) P-C4' energy: -93.905 flat angles C4'-P-C4' energy: -112.174 flat angles P-C4'-P energy: -88.035 tors. eta vs tors. theta energy: -155.147 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: 8 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1735.845988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.845988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.845988 (E_RNA) where: Base-Base interactions energy: -1209.107 where: short stacking energy: -486.599 Base-Backbone interact. energy: -0.709 local terms energy: -526.029560 where: bonds (distance) C4'-P energy: -94.594 bonds (distance) P-C4' energy: -103.407 flat angles C4'-P-C4' energy: -111.272 flat angles P-C4'-P energy: -70.717 tors. eta vs tors. theta energy: -146.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1710.212171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.212171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.212171 (E_RNA) where: Base-Base interactions energy: -1208.311 where: short stacking energy: -497.322 Base-Backbone interact. energy: 0.181 local terms energy: -502.082404 where: bonds (distance) C4'-P energy: -90.957 bonds (distance) P-C4' energy: -92.778 flat angles C4'-P-C4' energy: -104.977 flat angles P-C4'-P energy: -71.108 tors. eta vs tors. theta energy: -142.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1590.318035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.318035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.318035 (E_RNA) where: Base-Base interactions energy: -1099.808 where: short stacking energy: -459.270 Base-Backbone interact. energy: -0.795 local terms energy: -489.714763 where: bonds (distance) C4'-P energy: -91.854 bonds (distance) P-C4' energy: -85.593 flat angles C4'-P-C4' energy: -107.919 flat angles P-C4'-P energy: -66.032 tors. eta vs tors. theta energy: -138.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1570.805347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.805347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.805347 (E_RNA) where: Base-Base interactions energy: -1095.445 where: short stacking energy: -431.401 Base-Backbone interact. energy: 0.095 local terms energy: -475.454720 where: bonds (distance) C4'-P energy: -84.674 bonds (distance) P-C4' energy: -79.409 flat angles C4'-P-C4' energy: -99.631 flat angles P-C4'-P energy: -76.786 tors. eta vs tors. theta energy: -134.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1479.310288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.310288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.310288 (E_RNA) where: Base-Base interactions energy: -1032.942 where: short stacking energy: -412.807 Base-Backbone interact. energy: 0.632 local terms energy: -447.000236 where: bonds (distance) C4'-P energy: -78.644 bonds (distance) P-C4' energy: -94.446 flat angles C4'-P-C4' energy: -88.078 flat angles P-C4'-P energy: -66.358 tors. eta vs tors. theta energy: -119.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1346.441564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.441564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.441564 (E_RNA) where: Base-Base interactions energy: -914.218 where: short stacking energy: -357.463 Base-Backbone interact. energy: -0.097 local terms energy: -432.126510 where: bonds (distance) C4'-P energy: -92.685 bonds (distance) P-C4' energy: -70.472 flat angles C4'-P-C4' energy: -94.467 flat angles P-C4'-P energy: -69.290 tors. eta vs tors. theta energy: -105.213 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: 1 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1263.104981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.104981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.104981 (E_RNA) where: Base-Base interactions energy: -891.232 where: short stacking energy: -380.607 Base-Backbone interact. energy: -0.095 local terms energy: -371.778072 where: bonds (distance) C4'-P energy: -59.171 bonds (distance) P-C4' energy: -74.748 flat angles C4'-P-C4' energy: -82.730 flat angles P-C4'-P energy: -63.196 tors. eta vs tors. theta energy: -91.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -1082.337804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.337804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.337804 (E_RNA) where: Base-Base interactions energy: -749.687 where: short stacking energy: -309.389 Base-Backbone interact. energy: 0.945 local terms energy: -333.595796 where: bonds (distance) C4'-P energy: -58.994 bonds (distance) P-C4' energy: -67.577 flat angles C4'-P-C4' energy: -85.894 flat angles P-C4'-P energy: -57.859 tors. eta vs tors. theta energy: -63.272 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: 10 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -756.238823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.238823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.238823 (E_RNA) where: Base-Base interactions energy: -468.291 where: short stacking energy: -238.467 Base-Backbone interact. energy: 1.541 local terms energy: -289.488618 where: bonds (distance) C4'-P energy: -54.418 bonds (distance) P-C4' energy: -74.878 flat angles C4'-P-C4' energy: -69.377 flat angles P-C4'-P energy: -53.070 tors. eta vs tors. theta energy: -37.746 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: 3 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1839.186457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.186457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.186457 (E_RNA) where: Base-Base interactions energy: -1295.230 where: short stacking energy: -539.726 Base-Backbone interact. energy: -2.704 local terms energy: -541.253209 where: bonds (distance) C4'-P energy: -81.732 bonds (distance) P-C4' energy: -99.545 flat angles C4'-P-C4' energy: -119.667 flat angles P-C4'-P energy: -79.329 tors. eta vs tors. theta energy: -160.980 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: 2, replica: 8 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1752.554275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.554275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.554275 (E_RNA) where: Base-Base interactions energy: -1215.310 where: short stacking energy: -499.136 Base-Backbone interact. energy: -0.624 local terms energy: -536.620286 where: bonds (distance) C4'-P energy: -96.187 bonds (distance) P-C4' energy: -97.014 flat angles C4'-P-C4' energy: -112.291 flat angles P-C4'-P energy: -78.462 tors. eta vs tors. theta energy: -152.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1746.078808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.078808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.078808 (E_RNA) where: Base-Base interactions energy: -1222.857 where: short stacking energy: -491.684 Base-Backbone interact. energy: -1.736 local terms energy: -521.485499 where: bonds (distance) C4'-P energy: -85.968 bonds (distance) P-C4' energy: -92.850 flat angles C4'-P-C4' energy: -113.695 flat angles P-C4'-P energy: -73.314 tors. eta vs tors. theta energy: -155.658 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: 7 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1606.254572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.254572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.254572 (E_RNA) where: Base-Base interactions energy: -1119.256 where: short stacking energy: -443.413 Base-Backbone interact. energy: -2.080 local terms energy: -484.918712 where: bonds (distance) C4'-P energy: -80.104 bonds (distance) P-C4' energy: -100.257 flat angles C4'-P-C4' energy: -89.724 flat angles P-C4'-P energy: -70.310 tors. eta vs tors. theta energy: -144.524 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: 4 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1565.159448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.159448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.159448 (E_RNA) where: Base-Base interactions energy: -1045.064 where: short stacking energy: -440.150 Base-Backbone interact. energy: 2.585 local terms energy: -522.680589 where: bonds (distance) C4'-P energy: -84.540 bonds (distance) P-C4' energy: -100.221 flat angles C4'-P-C4' energy: -106.030 flat angles P-C4'-P energy: -82.483 tors. eta vs tors. theta energy: -149.407 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: 5 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1458.370537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.370537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.370537 (E_RNA) where: Base-Base interactions energy: -1011.434 where: short stacking energy: -412.464 Base-Backbone interact. energy: -0.031 local terms energy: -446.905497 where: bonds (distance) C4'-P energy: -93.833 bonds (distance) P-C4' energy: -78.118 flat angles C4'-P-C4' energy: -99.050 flat angles P-C4'-P energy: -57.076 tors. eta vs tors. theta energy: -118.829 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: 240 Temperature: 1.200000 Total energy: -1271.482953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.482953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.482953 (E_RNA) where: Base-Base interactions energy: -867.618 where: short stacking energy: -367.087 Base-Backbone interact. energy: -1.414 local terms energy: -402.451397 where: bonds (distance) C4'-P energy: -78.576 bonds (distance) P-C4' energy: -74.860 flat angles C4'-P-C4' energy: -95.969 flat angles P-C4'-P energy: -58.773 tors. eta vs tors. theta energy: -94.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1281.024020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.024020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.024020 (E_RNA) where: Base-Base interactions energy: -854.828 where: short stacking energy: -366.731 Base-Backbone interact. energy: -0.515 local terms energy: -425.680547 where: bonds (distance) C4'-P energy: -86.920 bonds (distance) P-C4' energy: -75.265 flat angles C4'-P-C4' energy: -89.152 flat angles P-C4'-P energy: -58.527 tors. eta vs tors. theta energy: -115.816 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: 9, replica: 9 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -1052.000623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.000623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.000623 (E_RNA) where: Base-Base interactions energy: -688.827 where: short stacking energy: -295.599 Base-Backbone interact. energy: -1.415 local terms energy: -361.758458 where: bonds (distance) C4'-P energy: -73.596 bonds (distance) P-C4' energy: -88.037 flat angles C4'-P-C4' energy: -82.009 flat angles P-C4'-P energy: -40.383 tors. eta vs tors. theta energy: -77.732 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: 10 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -696.779013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.779013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.779013 (E_RNA) where: Base-Base interactions energy: -394.226 where: short stacking energy: -177.907 Base-Backbone interact. energy: -0.608 local terms energy: -301.944383 where: bonds (distance) C4'-P energy: -72.091 bonds (distance) P-C4' energy: -85.340 flat angles C4'-P-C4' energy: -88.244 flat angles P-C4'-P energy: -30.195 tors. eta vs tors. theta energy: -26.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1825.937223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.937223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.937223 (E_RNA) where: Base-Base interactions energy: -1298.510 where: short stacking energy: -528.687 Base-Backbone interact. energy: 0.326 local terms energy: -527.752899 where: bonds (distance) C4'-P energy: -89.885 bonds (distance) P-C4' energy: -89.330 flat angles C4'-P-C4' energy: -100.462 flat angles P-C4'-P energy: -82.545 tors. eta vs tors. theta energy: -165.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1734.930034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.930034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.930034 (E_RNA) where: Base-Base interactions energy: -1204.593 where: short stacking energy: -493.793 Base-Backbone interact. energy: -0.935 local terms energy: -529.401785 where: bonds (distance) C4'-P energy: -89.720 bonds (distance) P-C4' energy: -92.328 flat angles C4'-P-C4' energy: -121.460 flat angles P-C4'-P energy: -75.252 tors. eta vs tors. theta energy: -150.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1694.560490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.560490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.560490 (E_RNA) where: Base-Base interactions energy: -1200.249 where: short stacking energy: -475.331 Base-Backbone interact. energy: -0.920 local terms energy: -493.392145 where: bonds (distance) C4'-P energy: -82.147 bonds (distance) P-C4' energy: -94.928 flat angles C4'-P-C4' energy: -98.883 flat angles P-C4'-P energy: -73.504 tors. eta vs tors. theta energy: -143.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1610.457066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.457066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.457066 (E_RNA) where: Base-Base interactions energy: -1121.508 where: short stacking energy: -459.120 Base-Backbone interact. energy: -0.729 local terms energy: -488.219702 where: bonds (distance) C4'-P energy: -88.562 bonds (distance) P-C4' energy: -98.713 flat angles C4'-P-C4' energy: -97.481 flat angles P-C4'-P energy: -69.650 tors. eta vs tors. theta energy: -133.815 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: 4 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1566.817341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.817341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.817341 (E_RNA) where: Base-Base interactions energy: -1110.550 where: short stacking energy: -443.600 Base-Backbone interact. energy: 0.612 local terms energy: -456.880212 where: bonds (distance) C4'-P energy: -92.127 bonds (distance) P-C4' energy: -81.912 flat angles C4'-P-C4' energy: -90.917 flat angles P-C4'-P energy: -56.698 tors. eta vs tors. theta energy: -135.226 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: 6, replica: 5 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1459.549421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.549421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.549421 (E_RNA) where: Base-Base interactions energy: -1007.820 where: short stacking energy: -397.044 Base-Backbone interact. energy: 0.403 local terms energy: -452.133261 where: bonds (distance) C4'-P energy: -87.848 bonds (distance) P-C4' energy: -83.043 flat angles C4'-P-C4' energy: -92.551 flat angles P-C4'-P energy: -62.211 tors. eta vs tors. theta energy: -126.480 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: 1 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1283.926550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.926550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.926550 (E_RNA) where: Base-Base interactions energy: -872.251 where: short stacking energy: -359.318 Base-Backbone interact. energy: -1.785 local terms energy: -409.890127 where: bonds (distance) C4'-P energy: -89.478 bonds (distance) P-C4' energy: -73.665 flat angles C4'-P-C4' energy: -88.557 flat angles P-C4'-P energy: -60.142 tors. eta vs tors. theta energy: -98.048 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: 6 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1270.188558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.188558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.188558 (E_RNA) where: Base-Base interactions energy: -853.618 where: short stacking energy: -364.815 Base-Backbone interact. energy: -0.219 local terms energy: -416.351250 where: bonds (distance) C4'-P energy: -66.406 bonds (distance) P-C4' energy: -80.952 flat angles C4'-P-C4' energy: -96.833 flat angles P-C4'-P energy: -64.804 tors. eta vs tors. theta energy: -107.356 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: 9 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -1062.837178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.837178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.837178 (E_RNA) where: Base-Base interactions energy: -714.742 where: short stacking energy: -301.671 Base-Backbone interact. energy: -0.816 local terms energy: -347.279034 where: bonds (distance) C4'-P energy: -88.259 bonds (distance) P-C4' energy: -74.586 flat angles C4'-P-C4' energy: -72.859 flat angles P-C4'-P energy: -36.018 tors. eta vs tors. theta energy: -75.556 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: 10 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -763.378946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.378946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.378946 (E_RNA) where: Base-Base interactions energy: -447.971 where: short stacking energy: -213.049 Base-Backbone interact. energy: -2.212 local terms energy: -313.195918 where: bonds (distance) C4'-P energy: -79.947 bonds (distance) P-C4' energy: -81.080 flat angles C4'-P-C4' energy: -76.221 flat angles P-C4'-P energy: -45.414 tors. eta vs tors. theta energy: -30.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1840.489339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.489339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.489339 (E_RNA) where: Base-Base interactions energy: -1299.822 where: short stacking energy: -545.136 Base-Backbone interact. energy: 1.550 local terms energy: -542.217999 where: bonds (distance) C4'-P energy: -83.133 bonds (distance) P-C4' energy: -100.007 flat angles C4'-P-C4' energy: -114.423 flat angles P-C4'-P energy: -77.501 tors. eta vs tors. theta energy: -167.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1745.166958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.166958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.166958 (E_RNA) where: Base-Base interactions energy: -1197.836 where: short stacking energy: -486.381 Base-Backbone interact. energy: -0.703 local terms energy: -546.627516 where: bonds (distance) C4'-P energy: -96.931 bonds (distance) P-C4' energy: -96.467 flat angles C4'-P-C4' energy: -113.279 flat angles P-C4'-P energy: -86.775 tors. eta vs tors. theta energy: -153.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1713.924032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.924032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.924032 (E_RNA) where: Base-Base interactions energy: -1182.036 where: short stacking energy: -492.002 Base-Backbone interact. energy: -0.868 local terms energy: -531.020032 where: bonds (distance) C4'-P energy: -91.973 bonds (distance) P-C4' energy: -96.306 flat angles C4'-P-C4' energy: -109.877 flat angles P-C4'-P energy: -84.097 tors. eta vs tors. theta energy: -148.767 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: 7 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1617.026465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.026465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.026465 (E_RNA) where: Base-Base interactions energy: -1118.297 where: short stacking energy: -471.172 Base-Backbone interact. energy: -1.049 local terms energy: -497.680317 where: bonds (distance) C4'-P energy: -87.147 bonds (distance) P-C4' energy: -85.148 flat angles C4'-P-C4' energy: -99.600 flat angles P-C4'-P energy: -72.380 tors. eta vs tors. theta energy: -153.405 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: 242 Temperature: 1.100000 Total energy: -1535.714174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.714174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.714174 (E_RNA) where: Base-Base interactions energy: -1070.818 where: short stacking energy: -415.999 Base-Backbone interact. energy: -1.386 local terms energy: -463.509646 where: bonds (distance) C4'-P energy: -80.999 bonds (distance) P-C4' energy: -89.397 flat angles C4'-P-C4' energy: -101.000 flat angles P-C4'-P energy: -64.359 tors. eta vs tors. theta energy: -127.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1463.173324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.173324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.173324 (E_RNA) where: Base-Base interactions energy: -1015.531 where: short stacking energy: -414.169 Base-Backbone interact. energy: 3.873 local terms energy: -451.515473 where: bonds (distance) C4'-P energy: -87.954 bonds (distance) P-C4' energy: -87.899 flat angles C4'-P-C4' energy: -97.624 flat angles P-C4'-P energy: -49.043 tors. eta vs tors. theta energy: -128.996 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: 6 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1334.202472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.202472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.202472 (E_RNA) where: Base-Base interactions energy: -931.189 where: short stacking energy: -388.300 Base-Backbone interact. energy: -0.547 local terms energy: -402.466019 where: bonds (distance) C4'-P energy: -89.166 bonds (distance) P-C4' energy: -66.690 flat angles C4'-P-C4' energy: -95.337 flat angles P-C4'-P energy: -47.512 tors. eta vs tors. theta energy: -103.761 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: 8, replica: 1 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1227.079740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.079740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.079740 (E_RNA) where: Base-Base interactions energy: -832.030 where: short stacking energy: -330.477 Base-Backbone interact. energy: -1.428 local terms energy: -393.620935 where: bonds (distance) C4'-P energy: -73.334 bonds (distance) P-C4' energy: -81.223 flat angles C4'-P-C4' energy: -82.489 flat angles P-C4'-P energy: -63.922 tors. eta vs tors. theta energy: -92.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -1071.586934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.586934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.586934 (E_RNA) where: Base-Base interactions energy: -715.884 where: short stacking energy: -318.350 Base-Backbone interact. energy: -1.333 local terms energy: -354.369396 where: bonds (distance) C4'-P energy: -66.557 bonds (distance) P-C4' energy: -80.929 flat angles C4'-P-C4' energy: -84.503 flat angles P-C4'-P energy: -46.729 tors. eta vs tors. theta energy: -75.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -732.437219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.437219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.437219 (E_RNA) where: Base-Base interactions energy: -453.425 where: short stacking energy: -214.909 Base-Backbone interact. energy: -1.371 local terms energy: -277.641143 where: bonds (distance) C4'-P energy: -50.879 bonds (distance) P-C4' energy: -80.718 flat angles C4'-P-C4' energy: -70.136 flat angles P-C4'-P energy: -57.739 tors. eta vs tors. theta energy: -18.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1842.987339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.987339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.987339 (E_RNA) where: Base-Base interactions energy: -1286.687 where: short stacking energy: -526.999 Base-Backbone interact. energy: -0.691 local terms energy: -555.609852 where: bonds (distance) C4'-P energy: -96.958 bonds (distance) P-C4' energy: -98.384 flat angles C4'-P-C4' energy: -111.409 flat angles P-C4'-P energy: -83.392 tors. eta vs tors. theta energy: -165.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1748.871143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.871143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.871143 (E_RNA) where: Base-Base interactions energy: -1217.876 where: short stacking energy: -512.442 Base-Backbone interact. energy: -2.745 local terms energy: -528.250286 where: bonds (distance) C4'-P energy: -94.788 bonds (distance) P-C4' energy: -97.166 flat angles C4'-P-C4' energy: -108.374 flat angles P-C4'-P energy: -75.643 tors. eta vs tors. theta energy: -152.279 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: 8 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1709.293521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.293521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.293521 (E_RNA) where: Base-Base interactions energy: -1185.638 where: short stacking energy: -481.976 Base-Backbone interact. energy: -1.237 local terms energy: -522.418268 where: bonds (distance) C4'-P energy: -91.760 bonds (distance) P-C4' energy: -100.797 flat angles C4'-P-C4' energy: -107.997 flat angles P-C4'-P energy: -73.420 tors. eta vs tors. theta energy: -148.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1594.180623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.180623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.180623 (E_RNA) where: Base-Base interactions energy: -1105.012 where: short stacking energy: -454.727 Base-Backbone interact. energy: -0.886 local terms energy: -488.283371 where: bonds (distance) C4'-P energy: -80.606 bonds (distance) P-C4' energy: -95.921 flat angles C4'-P-C4' energy: -101.134 flat angles P-C4'-P energy: -74.718 tors. eta vs tors. theta energy: -135.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1529.183163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.183163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.183163 (E_RNA) where: Base-Base interactions energy: -1045.802 where: short stacking energy: -425.665 Base-Backbone interact. energy: -0.627 local terms energy: -482.753415 where: bonds (distance) C4'-P energy: -95.648 bonds (distance) P-C4' energy: -89.122 flat angles C4'-P-C4' energy: -101.605 flat angles P-C4'-P energy: -69.931 tors. eta vs tors. theta energy: -126.448 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: 5 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1490.992472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.992472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.992472 (E_RNA) where: Base-Base interactions energy: -1008.067 where: short stacking energy: -417.123 Base-Backbone interact. energy: -1.663 local terms energy: -481.262502 where: bonds (distance) C4'-P energy: -81.131 bonds (distance) P-C4' energy: -90.555 flat angles C4'-P-C4' energy: -108.398 flat angles P-C4'-P energy: -75.624 tors. eta vs tors. theta energy: -125.555 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: 6 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1317.627422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.627422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.627422 (E_RNA) where: Base-Base interactions energy: -886.034 where: short stacking energy: -373.742 Base-Backbone interact. energy: -0.126 local terms energy: -431.468118 where: bonds (distance) C4'-P energy: -74.815 bonds (distance) P-C4' energy: -90.421 flat angles C4'-P-C4' energy: -107.083 flat angles P-C4'-P energy: -55.442 tors. eta vs tors. theta energy: -103.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1241.606865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.606865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.606865 (E_RNA) where: Base-Base interactions energy: -835.850 where: short stacking energy: -350.547 Base-Backbone interact. energy: 0.634 local terms energy: -406.391111 where: bonds (distance) C4'-P energy: -84.610 bonds (distance) P-C4' energy: -79.203 flat angles C4'-P-C4' energy: -85.331 flat angles P-C4'-P energy: -56.662 tors. eta vs tors. theta energy: -100.585 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: 9 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -1055.391797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.391797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.391797 (E_RNA) where: Base-Base interactions energy: -719.608 where: short stacking energy: -301.148 Base-Backbone interact. energy: -0.612 local terms energy: -335.171025 where: bonds (distance) C4'-P energy: -76.420 bonds (distance) P-C4' energy: -79.702 flat angles C4'-P-C4' energy: -75.684 flat angles P-C4'-P energy: -46.343 tors. eta vs tors. theta energy: -57.023 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: 10, replica: 10 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -710.344750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.344750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.344750 (E_RNA) where: Base-Base interactions energy: -419.727 where: short stacking energy: -181.113 Base-Backbone interact. energy: 3.149 local terms energy: -293.767036 where: bonds (distance) C4'-P energy: -82.564 bonds (distance) P-C4' energy: -78.556 flat angles C4'-P-C4' energy: -69.326 flat angles P-C4'-P energy: -47.813 tors. eta vs tors. theta energy: -15.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1845.584489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.584489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.584489 (E_RNA) where: Base-Base interactions energy: -1296.805 where: short stacking energy: -521.797 Base-Backbone interact. energy: -0.677 local terms energy: -548.101647 where: bonds (distance) C4'-P energy: -93.423 bonds (distance) P-C4' energy: -102.206 flat angles C4'-P-C4' energy: -113.995 flat angles P-C4'-P energy: -83.485 tors. eta vs tors. theta energy: -154.993 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: 244 Temperature: 0.950000 Total energy: -1749.908554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.908554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.908554 (E_RNA) where: Base-Base interactions energy: -1226.496 where: short stacking energy: -509.108 Base-Backbone interact. energy: -1.450 local terms energy: -521.962526 where: bonds (distance) C4'-P energy: -71.423 bonds (distance) P-C4' energy: -100.322 flat angles C4'-P-C4' energy: -108.303 flat angles P-C4'-P energy: -79.717 tors. eta vs tors. theta energy: -162.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1716.058578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.058578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.058578 (E_RNA) where: Base-Base interactions energy: -1193.619 where: short stacking energy: -487.644 Base-Backbone interact. energy: -0.519 local terms energy: -521.919916 where: bonds (distance) C4'-P energy: -96.292 bonds (distance) P-C4' energy: -95.899 flat angles C4'-P-C4' energy: -111.652 flat angles P-C4'-P energy: -70.372 tors. eta vs tors. theta energy: -147.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1584.611618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.611618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.611618 (E_RNA) where: Base-Base interactions energy: -1103.392 where: short stacking energy: -446.576 Base-Backbone interact. energy: -0.697 local terms energy: -480.522761 where: bonds (distance) C4'-P energy: -80.728 bonds (distance) P-C4' energy: -91.479 flat angles C4'-P-C4' energy: -87.312 flat angles P-C4'-P energy: -76.163 tors. eta vs tors. theta energy: -144.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1496.493296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.493296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.493296 (E_RNA) where: Base-Base interactions energy: -1039.562 where: short stacking energy: -435.159 Base-Backbone interact. energy: -0.538 local terms energy: -456.392773 where: bonds (distance) C4'-P energy: -91.671 bonds (distance) P-C4' energy: -75.837 flat angles C4'-P-C4' energy: -85.446 flat angles P-C4'-P energy: -75.652 tors. eta vs tors. theta energy: -127.786 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: 4 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1478.110844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.110844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.110844 (E_RNA) where: Base-Base interactions energy: -1031.680 where: short stacking energy: -420.972 Base-Backbone interact. energy: -1.540 local terms energy: -444.891176 where: bonds (distance) C4'-P energy: -73.127 bonds (distance) P-C4' energy: -74.817 flat angles C4'-P-C4' energy: -88.965 flat angles P-C4'-P energy: -67.325 tors. eta vs tors. theta energy: -140.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1338.429991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.429991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.429991 (E_RNA) where: Base-Base interactions energy: -928.763 where: short stacking energy: -381.433 Base-Backbone interact. energy: 1.595 local terms energy: -411.262322 where: bonds (distance) C4'-P energy: -67.227 bonds (distance) P-C4' energy: -78.058 flat angles C4'-P-C4' energy: -96.891 flat angles P-C4'-P energy: -64.261 tors. eta vs tors. theta energy: -104.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1263.171634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.171634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.171634 (E_RNA) where: Base-Base interactions energy: -864.837 where: short stacking energy: -354.019 Base-Backbone interact. energy: -0.187 local terms energy: -398.146917 where: bonds (distance) C4'-P energy: -65.979 bonds (distance) P-C4' energy: -94.531 flat angles C4'-P-C4' energy: -87.108 flat angles P-C4'-P energy: -53.129 tors. eta vs tors. theta energy: -97.399 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: 9 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -1064.653489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.653489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.653489 (E_RNA) where: Base-Base interactions energy: -689.931 where: short stacking energy: -298.128 Base-Backbone interact. energy: -1.043 local terms energy: -373.679020 where: bonds (distance) C4'-P energy: -85.496 bonds (distance) P-C4' energy: -76.777 flat angles C4'-P-C4' energy: -91.658 flat angles P-C4'-P energy: -58.317 tors. eta vs tors. theta energy: -61.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -734.221031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.221031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.221031 (E_RNA) where: Base-Base interactions energy: -426.161 where: short stacking energy: -207.752 Base-Backbone interact. energy: -2.006 local terms energy: -306.054043 where: bonds (distance) C4'-P energy: -73.267 bonds (distance) P-C4' energy: -66.697 flat angles C4'-P-C4' energy: -82.407 flat angles P-C4'-P energy: -43.102 tors. eta vs tors. theta energy: -40.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1859.158574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.158574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.158574 (E_RNA) where: Base-Base interactions energy: -1307.478 where: short stacking energy: -523.516 Base-Backbone interact. energy: -1.933 local terms energy: -549.747985 where: bonds (distance) C4'-P energy: -99.816 bonds (distance) P-C4' energy: -99.072 flat angles C4'-P-C4' energy: -105.980 flat angles P-C4'-P energy: -81.267 tors. eta vs tors. theta energy: -163.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1751.590335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.590335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.590335 (E_RNA) where: Base-Base interactions energy: -1212.832 where: short stacking energy: -497.231 Base-Backbone interact. energy: -0.434 local terms energy: -538.323912 where: bonds (distance) C4'-P energy: -97.718 bonds (distance) P-C4' energy: -101.364 flat angles C4'-P-C4' energy: -115.362 flat angles P-C4'-P energy: -74.504 tors. eta vs tors. theta energy: -149.375 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: 2 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1730.644256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.644256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.644256 (E_RNA) where: Base-Base interactions energy: -1231.550 where: short stacking energy: -488.730 Base-Backbone interact. energy: -1.054 local terms energy: -498.040031 where: bonds (distance) C4'-P energy: -89.837 bonds (distance) P-C4' energy: -76.411 flat angles C4'-P-C4' energy: -101.111 flat angles P-C4'-P energy: -82.105 tors. eta vs tors. theta energy: -148.576 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: 7 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1614.624417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.624417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.624417 (E_RNA) where: Base-Base interactions energy: -1113.098 where: short stacking energy: -471.098 Base-Backbone interact. energy: -1.273 local terms energy: -500.254135 where: bonds (distance) C4'-P energy: -92.958 bonds (distance) P-C4' energy: -63.428 flat angles C4'-P-C4' energy: -100.774 flat angles P-C4'-P energy: -90.026 tors. eta vs tors. theta energy: -153.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1521.544552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.544552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.544552 (E_RNA) where: Base-Base interactions energy: -1047.973 where: short stacking energy: -445.885 Base-Backbone interact. energy: 3.397 local terms energy: -476.968742 where: bonds (distance) C4'-P energy: -84.801 bonds (distance) P-C4' energy: -84.919 flat angles C4'-P-C4' energy: -101.778 flat angles P-C4'-P energy: -77.593 tors. eta vs tors. theta energy: -127.878 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: 4 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1458.127640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.127640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.127640 (E_RNA) where: Base-Base interactions energy: -1005.369 where: short stacking energy: -403.774 Base-Backbone interact. energy: 3.858 local terms energy: -456.616871 where: bonds (distance) C4'-P energy: -88.999 bonds (distance) P-C4' energy: -71.458 flat angles C4'-P-C4' energy: -108.396 flat angles P-C4'-P energy: -62.141 tors. eta vs tors. theta energy: -125.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1324.268266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.268266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.268266 (E_RNA) where: Base-Base interactions energy: -892.566 where: short stacking energy: -363.791 Base-Backbone interact. energy: 0.433 local terms energy: -432.134353 where: bonds (distance) C4'-P energy: -81.639 bonds (distance) P-C4' energy: -93.584 flat angles C4'-P-C4' energy: -91.610 flat angles P-C4'-P energy: -66.899 tors. eta vs tors. theta energy: -98.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1285.955791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.955791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.955791 (E_RNA) where: Base-Base interactions energy: -866.635 where: short stacking energy: -366.664 Base-Backbone interact. energy: -0.842 local terms energy: -418.478707 where: bonds (distance) C4'-P energy: -90.301 bonds (distance) P-C4' energy: -76.668 flat angles C4'-P-C4' energy: -83.923 flat angles P-C4'-P energy: -69.804 tors. eta vs tors. theta energy: -97.782 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: 9 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -1100.630104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.630104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.630104 (E_RNA) where: Base-Base interactions energy: -738.406 where: short stacking energy: -325.805 Base-Backbone interact. energy: 0.360 local terms energy: -362.583889 where: bonds (distance) C4'-P energy: -81.021 bonds (distance) P-C4' energy: -82.134 flat angles C4'-P-C4' energy: -73.623 flat angles P-C4'-P energy: -48.052 tors. eta vs tors. theta energy: -77.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -752.129491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.129491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.129491 (E_RNA) where: Base-Base interactions energy: -443.524 where: short stacking energy: -215.848 Base-Backbone interact. energy: 0.548 local terms energy: -309.153601 where: bonds (distance) C4'-P energy: -74.340 bonds (distance) P-C4' energy: -77.126 flat angles C4'-P-C4' energy: -78.519 flat angles P-C4'-P energy: -37.214 tors. eta vs tors. theta energy: -41.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1823.125815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.125815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.125815 (E_RNA) where: Base-Base interactions energy: -1282.826 where: short stacking energy: -532.992 Base-Backbone interact. energy: -2.792 local terms energy: -537.508058 where: bonds (distance) C4'-P energy: -98.843 bonds (distance) P-C4' energy: -97.385 flat angles C4'-P-C4' energy: -105.465 flat angles P-C4'-P energy: -74.846 tors. eta vs tors. theta energy: -160.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1746.817409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.817409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.817409 (E_RNA) where: Base-Base interactions energy: -1228.856 where: short stacking energy: -494.343 Base-Backbone interact. energy: -0.696 local terms energy: -517.265712 where: bonds (distance) C4'-P energy: -90.878 bonds (distance) P-C4' energy: -90.383 flat angles C4'-P-C4' energy: -111.966 flat angles P-C4'-P energy: -76.222 tors. eta vs tors. theta energy: -147.816 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: 2 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1728.381609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.381609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.381609 (E_RNA) where: Base-Base interactions energy: -1205.104 where: short stacking energy: -481.544 Base-Backbone interact. energy: -1.694 local terms energy: -521.583460 where: bonds (distance) C4'-P energy: -101.604 bonds (distance) P-C4' energy: -93.387 flat angles C4'-P-C4' energy: -109.141 flat angles P-C4'-P energy: -66.062 tors. eta vs tors. theta energy: -151.390 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: 4, replica: 7 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1605.269757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.269757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.269757 (E_RNA) where: Base-Base interactions energy: -1105.049 where: short stacking energy: -464.260 Base-Backbone interact. energy: 0.421 local terms energy: -500.641872 where: bonds (distance) C4'-P energy: -97.602 bonds (distance) P-C4' energy: -91.625 flat angles C4'-P-C4' energy: -107.755 flat angles P-C4'-P energy: -63.202 tors. eta vs tors. theta energy: -140.458 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: 4 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1510.562966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.562966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.562966 (E_RNA) where: Base-Base interactions energy: -1030.268 where: short stacking energy: -438.403 Base-Backbone interact. energy: -0.941 local terms energy: -479.354087 where: bonds (distance) C4'-P energy: -71.911 bonds (distance) P-C4' energy: -93.343 flat angles C4'-P-C4' energy: -113.515 flat angles P-C4'-P energy: -70.955 tors. eta vs tors. theta energy: -129.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1474.349071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.349071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.349071 (E_RNA) where: Base-Base interactions energy: -1044.758 where: short stacking energy: -450.723 Base-Backbone interact. energy: 2.246 local terms energy: -431.837243 where: bonds (distance) C4'-P energy: -71.975 bonds (distance) P-C4' energy: -72.126 flat angles C4'-P-C4' energy: -99.275 flat angles P-C4'-P energy: -54.381 tors. eta vs tors. theta energy: -134.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1339.792174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.792174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.792174 (E_RNA) where: Base-Base interactions energy: -899.114 where: short stacking energy: -376.528 Base-Backbone interact. energy: 0.485 local terms energy: -441.163201 where: bonds (distance) C4'-P energy: -76.533 bonds (distance) P-C4' energy: -87.725 flat angles C4'-P-C4' energy: -96.029 flat angles P-C4'-P energy: -68.917 tors. eta vs tors. theta energy: -111.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1295.036638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.036638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.036638 (E_RNA) where: Base-Base interactions energy: -879.353 where: short stacking energy: -352.838 Base-Backbone interact. energy: -2.169 local terms energy: -413.515413 where: bonds (distance) C4'-P energy: -79.797 bonds (distance) P-C4' energy: -92.930 flat angles C4'-P-C4' energy: -87.985 flat angles P-C4'-P energy: -59.739 tors. eta vs tors. theta energy: -93.065 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: 9, replica: 9 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1120.120595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.120595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.120595 (E_RNA) where: Base-Base interactions energy: -735.569 where: short stacking energy: -320.045 Base-Backbone interact. energy: 0.626 local terms energy: -385.177911 where: bonds (distance) C4'-P energy: -79.961 bonds (distance) P-C4' energy: -64.564 flat angles C4'-P-C4' energy: -85.730 flat angles P-C4'-P energy: -60.304 tors. eta vs tors. theta energy: -94.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -767.575195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.575195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.575195 (E_RNA) where: Base-Base interactions energy: -457.253 where: short stacking energy: -204.523 Base-Backbone interact. energy: 0.907 local terms energy: -311.228982 where: bonds (distance) C4'-P energy: -75.737 bonds (distance) P-C4' energy: -78.538 flat angles C4'-P-C4' energy: -85.906 flat angles P-C4'-P energy: -42.045 tors. eta vs tors. theta energy: -29.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1824.933613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.933613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.933613 (E_RNA) where: Base-Base interactions energy: -1289.001 where: short stacking energy: -526.365 Base-Backbone interact. energy: 3.807 local terms energy: -539.739771 where: bonds (distance) C4'-P energy: -93.669 bonds (distance) P-C4' energy: -93.186 flat angles C4'-P-C4' energy: -111.066 flat angles P-C4'-P energy: -78.905 tors. eta vs tors. theta energy: -162.914 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: 2, replica: 8 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1791.658614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.658614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.658614 (E_RNA) where: Base-Base interactions energy: -1252.451 where: short stacking energy: -512.861 Base-Backbone interact. energy: -0.166 local terms energy: -539.041299 where: bonds (distance) C4'-P energy: -99.608 bonds (distance) P-C4' energy: -93.718 flat angles C4'-P-C4' energy: -109.186 flat angles P-C4'-P energy: -79.242 tors. eta vs tors. theta energy: -157.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1728.647557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.647557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.647557 (E_RNA) where: Base-Base interactions energy: -1224.206 where: short stacking energy: -511.871 Base-Backbone interact. energy: -0.010 local terms energy: -504.431049 where: bonds (distance) C4'-P energy: -85.244 bonds (distance) P-C4' energy: -83.584 flat angles C4'-P-C4' energy: -106.946 flat angles P-C4'-P energy: -70.885 tors. eta vs tors. theta energy: -157.771 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: 4, replica: 4 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1561.928200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.928200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.928200 (E_RNA) where: Base-Base interactions energy: -1067.759 where: short stacking energy: -435.056 Base-Backbone interact. energy: -1.701 local terms energy: -492.468295 where: bonds (distance) C4'-P energy: -83.545 bonds (distance) P-C4' energy: -95.058 flat angles C4'-P-C4' energy: -103.434 flat angles P-C4'-P energy: -77.601 tors. eta vs tors. theta energy: -132.830 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: 7 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1581.594301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.594301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.594301 (E_RNA) where: Base-Base interactions energy: -1077.174 where: short stacking energy: -459.840 Base-Backbone interact. energy: -1.095 local terms energy: -503.325581 where: bonds (distance) C4'-P energy: -89.372 bonds (distance) P-C4' energy: -85.041 flat angles C4'-P-C4' energy: -112.424 flat angles P-C4'-P energy: -71.959 tors. eta vs tors. theta energy: -144.529 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: 247 Temperature: 1.150000 Total energy: -1470.712774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.712774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.712774 (E_RNA) where: Base-Base interactions energy: -1001.017 where: short stacking energy: -411.016 Base-Backbone interact. energy: 0.734 local terms energy: -470.429864 where: bonds (distance) C4'-P energy: -89.462 bonds (distance) P-C4' energy: -87.280 flat angles C4'-P-C4' energy: -100.187 flat angles P-C4'-P energy: -66.994 tors. eta vs tors. theta energy: -126.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1290.619891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.619891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.619891 (E_RNA) where: Base-Base interactions energy: -848.727 where: short stacking energy: -349.551 Base-Backbone interact. energy: -0.574 local terms energy: -441.318595 where: bonds (distance) C4'-P energy: -90.792 bonds (distance) P-C4' energy: -88.015 flat angles C4'-P-C4' energy: -92.348 flat angles P-C4'-P energy: -69.655 tors. eta vs tors. theta energy: -100.508 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: 1 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1259.096691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.096691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.096691 (E_RNA) where: Base-Base interactions energy: -846.257 where: short stacking energy: -347.278 Base-Backbone interact. energy: 1.656 local terms energy: -414.495846 where: bonds (distance) C4'-P energy: -68.961 bonds (distance) P-C4' energy: -94.352 flat angles C4'-P-C4' energy: -94.872 flat angles P-C4'-P energy: -59.340 tors. eta vs tors. theta energy: -96.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1105.260729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.260729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.260729 (E_RNA) where: Base-Base interactions energy: -715.750 where: short stacking energy: -298.991 Base-Backbone interact. energy: 0.079 local terms energy: -389.589340 where: bonds (distance) C4'-P energy: -93.490 bonds (distance) P-C4' energy: -89.449 flat angles C4'-P-C4' energy: -79.241 flat angles P-C4'-P energy: -58.101 tors. eta vs tors. theta energy: -69.309 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: 10 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -830.655574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.655574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.655574 (E_RNA) where: Base-Base interactions energy: -511.077 where: short stacking energy: -243.729 Base-Backbone interact. energy: -1.856 local terms energy: -317.723301 where: bonds (distance) C4'-P energy: -58.677 bonds (distance) P-C4' energy: -86.594 flat angles C4'-P-C4' energy: -77.263 flat angles P-C4'-P energy: -53.509 tors. eta vs tors. theta energy: -41.680 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: 3 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1833.208906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.208906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.208906 (E_RNA) where: Base-Base interactions energy: -1270.788 where: short stacking energy: -515.408 Base-Backbone interact. energy: -1.907 local terms energy: -560.514233 where: bonds (distance) C4'-P energy: -104.319 bonds (distance) P-C4' energy: -101.537 flat angles C4'-P-C4' energy: -117.313 flat angles P-C4'-P energy: -79.547 tors. eta vs tors. theta energy: -157.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1763.919425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.919425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.919425 (E_RNA) where: Base-Base interactions energy: -1231.020 where: short stacking energy: -500.997 Base-Backbone interact. energy: -1.850 local terms energy: -531.048878 where: bonds (distance) C4'-P energy: -85.632 bonds (distance) P-C4' energy: -96.342 flat angles C4'-P-C4' energy: -108.330 flat angles P-C4'-P energy: -81.149 tors. eta vs tors. theta energy: -159.595 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: 3, replica: 2 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1730.084369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.084369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.084369 (E_RNA) where: Base-Base interactions energy: -1225.027 where: short stacking energy: -501.093 Base-Backbone interact. energy: -1.317 local terms energy: -503.740314 where: bonds (distance) C4'-P energy: -75.914 bonds (distance) P-C4' energy: -94.577 flat angles C4'-P-C4' energy: -110.345 flat angles P-C4'-P energy: -70.741 tors. eta vs tors. theta energy: -152.163 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: 4 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1560.153535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.153535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.153535 (E_RNA) where: Base-Base interactions energy: -1070.493 where: short stacking energy: -447.498 Base-Backbone interact. energy: -1.452 local terms energy: -488.208985 where: bonds (distance) C4'-P energy: -93.809 bonds (distance) P-C4' energy: -91.224 flat angles C4'-P-C4' energy: -102.878 flat angles P-C4'-P energy: -72.430 tors. eta vs tors. theta energy: -127.867 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: 5, replica: 7 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1586.245324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.245324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.245324 (E_RNA) where: Base-Base interactions energy: -1080.233 where: short stacking energy: -454.057 Base-Backbone interact. energy: -1.532 local terms energy: -504.480020 where: bonds (distance) C4'-P energy: -110.988 bonds (distance) P-C4' energy: -90.981 flat angles C4'-P-C4' energy: -96.936 flat angles P-C4'-P energy: -61.985 tors. eta vs tors. theta energy: -143.590 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: 5 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1452.863730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.863730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.863730 (E_RNA) where: Base-Base interactions energy: -996.105 where: short stacking energy: -408.706 Base-Backbone interact. energy: 1.519 local terms energy: -458.277070 where: bonds (distance) C4'-P energy: -84.842 bonds (distance) P-C4' energy: -93.430 flat angles C4'-P-C4' energy: -85.386 flat angles P-C4'-P energy: -72.098 tors. eta vs tors. theta energy: -122.521 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: 6 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1310.666092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.666092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.666092 (E_RNA) where: Base-Base interactions energy: -877.789 where: short stacking energy: -383.507 Base-Backbone interact. energy: 1.015 local terms energy: -433.891842 where: bonds (distance) C4'-P energy: -83.360 bonds (distance) P-C4' energy: -95.601 flat angles C4'-P-C4' energy: -92.586 flat angles P-C4'-P energy: -66.959 tors. eta vs tors. theta energy: -95.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1268.874147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.874147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.874147 (E_RNA) where: Base-Base interactions energy: -861.288 where: short stacking energy: -349.277 Base-Backbone interact. energy: -1.241 local terms energy: -406.344957 where: bonds (distance) C4'-P energy: -90.396 bonds (distance) P-C4' energy: -75.946 flat angles C4'-P-C4' energy: -79.516 flat angles P-C4'-P energy: -65.895 tors. eta vs tors. theta energy: -94.591 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: 9 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -1097.274396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.274396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.274396 (E_RNA) where: Base-Base interactions energy: -731.365 where: short stacking energy: -312.784 Base-Backbone interact. energy: 0.297 local terms energy: -366.206314 where: bonds (distance) C4'-P energy: -73.328 bonds (distance) P-C4' energy: -68.088 flat angles C4'-P-C4' energy: -96.043 flat angles P-C4'-P energy: -54.274 tors. eta vs tors. theta energy: -74.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -730.299896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.299896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.299896 (E_RNA) where: Base-Base interactions energy: -432.719 where: short stacking energy: -206.936 Base-Backbone interact. energy: 1.463 local terms energy: -299.043805 where: bonds (distance) C4'-P energy: -83.862 bonds (distance) P-C4' energy: -77.214 flat angles C4'-P-C4' energy: -67.274 flat angles P-C4'-P energy: -40.702 tors. eta vs tors. theta energy: -29.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1822.021524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.021524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.021524 (E_RNA) where: Base-Base interactions energy: -1263.396 where: short stacking energy: -514.255 Base-Backbone interact. energy: 0.980 local terms energy: -559.604928 where: bonds (distance) C4'-P energy: -100.906 bonds (distance) P-C4' energy: -110.494 flat angles C4'-P-C4' energy: -112.467 flat angles P-C4'-P energy: -77.464 tors. eta vs tors. theta energy: -158.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1761.110681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.110681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.110681 (E_RNA) where: Base-Base interactions energy: -1231.708 where: short stacking energy: -519.938 Base-Backbone interact. energy: 0.840 local terms energy: -530.243472 where: bonds (distance) C4'-P energy: -88.428 bonds (distance) P-C4' energy: -104.069 flat angles C4'-P-C4' energy: -109.926 flat angles P-C4'-P energy: -74.899 tors. eta vs tors. theta energy: -152.922 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: 8 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1720.390393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.390393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.390393 (E_RNA) where: Base-Base interactions energy: -1205.603 where: short stacking energy: -513.325 Base-Backbone interact. energy: -0.246 local terms energy: -514.541709 where: bonds (distance) C4'-P energy: -92.122 bonds (distance) P-C4' energy: -90.775 flat angles C4'-P-C4' energy: -107.089 flat angles P-C4'-P energy: -71.415 tors. eta vs tors. theta energy: -153.141 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: 4, replica: 7 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1617.804605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.804605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.804605 (E_RNA) where: Base-Base interactions energy: -1104.454 where: short stacking energy: -469.713 Base-Backbone interact. energy: -0.025 local terms energy: -513.325702 where: bonds (distance) C4'-P energy: -95.143 bonds (distance) P-C4' energy: -86.861 flat angles C4'-P-C4' energy: -111.722 flat angles P-C4'-P energy: -70.656 tors. eta vs tors. theta energy: -148.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1509.562025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.562025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.562025 (E_RNA) where: Base-Base interactions energy: -1051.767 where: short stacking energy: -423.033 Base-Backbone interact. energy: 0.507 local terms energy: -458.301724 where: bonds (distance) C4'-P energy: -76.718 bonds (distance) P-C4' energy: -88.462 flat angles C4'-P-C4' energy: -106.970 flat angles P-C4'-P energy: -57.404 tors. eta vs tors. theta energy: -128.748 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: 5 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1459.788498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.788498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.788498 (E_RNA) where: Base-Base interactions energy: -1028.339 where: short stacking energy: -400.820 Base-Backbone interact. energy: -1.650 local terms energy: -429.800445 where: bonds (distance) C4'-P energy: -91.912 bonds (distance) P-C4' energy: -74.632 flat angles C4'-P-C4' energy: -85.281 flat angles P-C4'-P energy: -60.254 tors. eta vs tors. theta energy: -117.721 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: 6 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1320.551537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.551537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.551537 (E_RNA) where: Base-Base interactions energy: -891.647 where: short stacking energy: -394.071 Base-Backbone interact. energy: 1.555 local terms energy: -430.459858 where: bonds (distance) C4'-P energy: -91.932 bonds (distance) P-C4' energy: -90.654 flat angles C4'-P-C4' energy: -71.440 flat angles P-C4'-P energy: -63.354 tors. eta vs tors. theta energy: -113.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1280.851135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.851135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.851135 (E_RNA) where: Base-Base interactions energy: -849.484 where: short stacking energy: -369.405 Base-Backbone interact. energy: -1.622 local terms energy: -429.744872 where: bonds (distance) C4'-P energy: -77.401 bonds (distance) P-C4' energy: -79.823 flat angles C4'-P-C4' energy: -93.999 flat angles P-C4'-P energy: -65.752 tors. eta vs tors. theta energy: -112.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -1105.078281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.078281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.078281 (E_RNA) where: Base-Base interactions energy: -729.045 where: short stacking energy: -304.860 Base-Backbone interact. energy: -1.812 local terms energy: -374.221909 where: bonds (distance) C4'-P energy: -73.603 bonds (distance) P-C4' energy: -77.410 flat angles C4'-P-C4' energy: -82.255 flat angles P-C4'-P energy: -50.612 tors. eta vs tors. theta energy: -90.343 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: 10 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -757.405859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.405859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.405859 (E_RNA) where: Base-Base interactions energy: -469.730 where: short stacking energy: -195.288 Base-Backbone interact. energy: 0.276 local terms energy: -287.951663 where: bonds (distance) C4'-P energy: -76.027 bonds (distance) P-C4' energy: -74.871 flat angles C4'-P-C4' energy: -64.654 flat angles P-C4'-P energy: -40.131 tors. eta vs tors. theta energy: -32.268 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: 3 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1845.361012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.361012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.361012 (E_RNA) where: Base-Base interactions energy: -1311.479 where: short stacking energy: -539.671 Base-Backbone interact. energy: -1.356 local terms energy: -532.525509 where: bonds (distance) C4'-P energy: -87.482 bonds (distance) P-C4' energy: -84.024 flat angles C4'-P-C4' energy: -118.855 flat angles P-C4'-P energy: -83.541 tors. eta vs tors. theta energy: -158.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1737.639007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.639007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.639007 (E_RNA) where: Base-Base interactions energy: -1224.440 where: short stacking energy: -498.729 Base-Backbone interact. energy: -2.016 local terms energy: -511.183485 where: bonds (distance) C4'-P energy: -79.355 bonds (distance) P-C4' energy: -87.028 flat angles C4'-P-C4' energy: -110.321 flat angles P-C4'-P energy: -84.878 tors. eta vs tors. theta energy: -149.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1738.368359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.368359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.368359 (E_RNA) where: Base-Base interactions energy: -1229.665 where: short stacking energy: -479.634 Base-Backbone interact. energy: -0.848 local terms energy: -507.855280 where: bonds (distance) C4'-P energy: -88.709 bonds (distance) P-C4' energy: -93.503 flat angles C4'-P-C4' energy: -107.487 flat angles P-C4'-P energy: -72.991 tors. eta vs tors. theta energy: -145.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1625.015290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.015290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.015290 (E_RNA) where: Base-Base interactions energy: -1130.792 where: short stacking energy: -471.050 Base-Backbone interact. energy: 0.535 local terms energy: -494.758421 where: bonds (distance) C4'-P energy: -82.210 bonds (distance) P-C4' energy: -98.082 flat angles C4'-P-C4' energy: -87.645 flat angles P-C4'-P energy: -77.864 tors. eta vs tors. theta energy: -148.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1522.208244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.208244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.208244 (E_RNA) where: Base-Base interactions energy: -1055.306 where: short stacking energy: -444.497 Base-Backbone interact. energy: 1.911 local terms energy: -468.812519 where: bonds (distance) C4'-P energy: -85.224 bonds (distance) P-C4' energy: -94.034 flat angles C4'-P-C4' energy: -104.717 flat angles P-C4'-P energy: -60.688 tors. eta vs tors. theta energy: -124.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1456.296860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.296860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.296860 (E_RNA) where: Base-Base interactions energy: -1010.210 where: short stacking energy: -416.325 Base-Backbone interact. energy: 0.091 local terms energy: -446.178138 where: bonds (distance) C4'-P energy: -83.122 bonds (distance) P-C4' energy: -85.579 flat angles C4'-P-C4' energy: -96.451 flat angles P-C4'-P energy: -56.816 tors. eta vs tors. theta energy: -124.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1313.187926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.187926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.187926 (E_RNA) where: Base-Base interactions energy: -876.928 where: short stacking energy: -378.005 Base-Backbone interact. energy: -0.505 local terms energy: -435.754604 where: bonds (distance) C4'-P energy: -86.220 bonds (distance) P-C4' energy: -75.692 flat angles C4'-P-C4' energy: -98.913 flat angles P-C4'-P energy: -71.210 tors. eta vs tors. theta energy: -103.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1269.542033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.542033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.542033 (E_RNA) where: Base-Base interactions energy: -864.250 where: short stacking energy: -358.523 Base-Backbone interact. energy: -2.496 local terms energy: -402.795697 where: bonds (distance) C4'-P energy: -77.868 bonds (distance) P-C4' energy: -73.660 flat angles C4'-P-C4' energy: -92.547 flat angles P-C4'-P energy: -57.341 tors. eta vs tors. theta energy: -101.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -1108.857289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.857289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.857289 (E_RNA) where: Base-Base interactions energy: -715.277 where: short stacking energy: -314.977 Base-Backbone interact. energy: -0.642 local terms energy: -392.938395 where: bonds (distance) C4'-P energy: -82.405 bonds (distance) P-C4' energy: -88.686 flat angles C4'-P-C4' energy: -88.122 flat angles P-C4'-P energy: -48.157 tors. eta vs tors. theta energy: -85.568 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: 10 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -753.255857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.255857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.255857 (E_RNA) where: Base-Base interactions energy: -455.138 where: short stacking energy: -211.498 Base-Backbone interact. energy: 0.062 local terms energy: -298.180071 where: bonds (distance) C4'-P energy: -74.068 bonds (distance) P-C4' energy: -76.467 flat angles C4'-P-C4' energy: -75.449 flat angles P-C4'-P energy: -48.922 tors. eta vs tors. theta energy: -23.274 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: 3 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1814.497110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.497110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.497110 (E_RNA) where: Base-Base interactions energy: -1279.384 where: short stacking energy: -503.780 Base-Backbone interact. energy: -0.750 local terms energy: -534.363334 where: bonds (distance) C4'-P energy: -100.344 bonds (distance) P-C4' energy: -89.875 flat angles C4'-P-C4' energy: -118.550 flat angles P-C4'-P energy: -66.652 tors. eta vs tors. theta energy: -158.943 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: 8 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1741.325406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.325406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.325406 (E_RNA) where: Base-Base interactions energy: -1217.105 where: short stacking energy: -489.392 Base-Backbone interact. energy: -1.845 local terms energy: -522.374479 where: bonds (distance) C4'-P energy: -94.115 bonds (distance) P-C4' energy: -98.437 flat angles C4'-P-C4' energy: -113.592 flat angles P-C4'-P energy: -65.464 tors. eta vs tors. theta energy: -150.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1714.134728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.134728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.134728 (E_RNA) where: Base-Base interactions energy: -1191.489 where: short stacking energy: -486.630 Base-Backbone interact. energy: 3.478 local terms energy: -526.123669 where: bonds (distance) C4'-P energy: -83.167 bonds (distance) P-C4' energy: -99.806 flat angles C4'-P-C4' energy: -109.870 flat angles P-C4'-P energy: -85.314 tors. eta vs tors. theta energy: -147.966 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: 7 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1628.451654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.451654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.451654 (E_RNA) where: Base-Base interactions energy: -1131.691 where: short stacking energy: -469.568 Base-Backbone interact. energy: -0.463 local terms energy: -496.298493 where: bonds (distance) C4'-P energy: -88.812 bonds (distance) P-C4' energy: -94.233 flat angles C4'-P-C4' energy: -106.249 flat angles P-C4'-P energy: -70.430 tors. eta vs tors. theta energy: -136.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1507.247458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.247458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.247458 (E_RNA) where: Base-Base interactions energy: -1069.803 where: short stacking energy: -450.310 Base-Backbone interact. energy: -0.687 local terms energy: -436.756811 where: bonds (distance) C4'-P energy: -73.686 bonds (distance) P-C4' energy: -75.695 flat angles C4'-P-C4' energy: -88.926 flat angles P-C4'-P energy: -67.419 tors. eta vs tors. theta energy: -131.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1434.686562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.686562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.686562 (E_RNA) where: Base-Base interactions energy: -991.622 where: short stacking energy: -401.139 Base-Backbone interact. energy: -1.018 local terms energy: -442.047154 where: bonds (distance) C4'-P energy: -99.274 bonds (distance) P-C4' energy: -77.224 flat angles C4'-P-C4' energy: -94.159 flat angles P-C4'-P energy: -56.865 tors. eta vs tors. theta energy: -114.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1290.263580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.263580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.263580 (E_RNA) where: Base-Base interactions energy: -888.767 where: short stacking energy: -366.748 Base-Backbone interact. energy: 1.299 local terms energy: -402.795094 where: bonds (distance) C4'-P energy: -73.559 bonds (distance) P-C4' energy: -77.204 flat angles C4'-P-C4' energy: -84.580 flat angles P-C4'-P energy: -68.114 tors. eta vs tors. theta energy: -99.337 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: 1 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1309.649228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.649228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.649228 (E_RNA) where: Base-Base interactions energy: -907.643 where: short stacking energy: -349.519 Base-Backbone interact. energy: 2.391 local terms energy: -404.397174 where: bonds (distance) C4'-P energy: -82.857 bonds (distance) P-C4' energy: -87.077 flat angles C4'-P-C4' energy: -97.479 flat angles P-C4'-P energy: -56.275 tors. eta vs tors. theta energy: -80.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -1088.216760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.216760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.216760 (E_RNA) where: Base-Base interactions energy: -734.049 where: short stacking energy: -320.741 Base-Backbone interact. energy: -2.012 local terms energy: -352.156221 where: bonds (distance) C4'-P energy: -76.176 bonds (distance) P-C4' energy: -86.165 flat angles C4'-P-C4' energy: -66.280 flat angles P-C4'-P energy: -49.407 tors. eta vs tors. theta energy: -74.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -764.890753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.890753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.890753 (E_RNA) where: Base-Base interactions energy: -453.134 where: short stacking energy: -202.028 Base-Backbone interact. energy: -0.078 local terms energy: -311.678282 where: bonds (distance) C4'-P energy: -84.647 bonds (distance) P-C4' energy: -69.470 flat angles C4'-P-C4' energy: -83.928 flat angles P-C4'-P energy: -42.777 tors. eta vs tors. theta energy: -30.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1807.178509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.178509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.178509 (E_RNA) where: Base-Base interactions energy: -1278.364 where: short stacking energy: -522.422 Base-Backbone interact. energy: -1.623 local terms energy: -527.191399 where: bonds (distance) C4'-P energy: -96.207 bonds (distance) P-C4' energy: -91.139 flat angles C4'-P-C4' energy: -109.481 flat angles P-C4'-P energy: -70.851 tors. eta vs tors. theta energy: -159.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1773.110211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.110211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.110211 (E_RNA) where: Base-Base interactions energy: -1219.006 where: short stacking energy: -488.809 Base-Backbone interact. energy: -1.813 local terms energy: -552.291171 where: bonds (distance) C4'-P energy: -111.627 bonds (distance) P-C4' energy: -98.302 flat angles C4'-P-C4' energy: -110.014 flat angles P-C4'-P energy: -85.952 tors. eta vs tors. theta energy: -146.396 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: 2 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1706.358572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.358572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.358572 (E_RNA) where: Base-Base interactions energy: -1203.827 where: short stacking energy: -488.773 Base-Backbone interact. energy: 8.500 local terms energy: -511.031543 where: bonds (distance) C4'-P energy: -79.649 bonds (distance) P-C4' energy: -103.928 flat angles C4'-P-C4' energy: -108.507 flat angles P-C4'-P energy: -73.841 tors. eta vs tors. theta energy: -145.106 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: 4, replica: 7 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1602.281491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.281491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.281491 (E_RNA) where: Base-Base interactions energy: -1102.138 where: short stacking energy: -468.399 Base-Backbone interact. energy: -1.608 local terms energy: -498.536311 where: bonds (distance) C4'-P energy: -94.995 bonds (distance) P-C4' energy: -84.732 flat angles C4'-P-C4' energy: -106.624 flat angles P-C4'-P energy: -68.264 tors. eta vs tors. theta energy: -143.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1469.181885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.181885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.181885 (E_RNA) where: Base-Base interactions energy: -988.873 where: short stacking energy: -403.025 Base-Backbone interact. energy: -0.528 local terms energy: -479.781626 where: bonds (distance) C4'-P energy: -92.622 bonds (distance) P-C4' energy: -79.598 flat angles C4'-P-C4' energy: -108.840 flat angles P-C4'-P energy: -79.263 tors. eta vs tors. theta energy: -119.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1486.953688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.953688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.953688 (E_RNA) where: Base-Base interactions energy: -1038.921 where: short stacking energy: -398.832 Base-Backbone interact. energy: 3.166 local terms energy: -451.198163 where: bonds (distance) C4'-P energy: -75.843 bonds (distance) P-C4' energy: -82.265 flat angles C4'-P-C4' energy: -105.475 flat angles P-C4'-P energy: -63.091 tors. eta vs tors. theta energy: -124.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1366.739322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.739322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.739322 (E_RNA) where: Base-Base interactions energy: -936.316 where: short stacking energy: -368.078 Base-Backbone interact. energy: 0.068 local terms energy: -430.490394 where: bonds (distance) C4'-P energy: -87.413 bonds (distance) P-C4' energy: -76.148 flat angles C4'-P-C4' energy: -94.832 flat angles P-C4'-P energy: -59.194 tors. eta vs tors. theta energy: -112.904 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: 8, replica: 1 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1292.328605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.328605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.328605 (E_RNA) where: Base-Base interactions energy: -879.516 where: short stacking energy: -350.356 Base-Backbone interact. energy: 3.822 local terms energy: -416.634552 where: bonds (distance) C4'-P energy: -71.417 bonds (distance) P-C4' energy: -74.786 flat angles C4'-P-C4' energy: -92.441 flat angles P-C4'-P energy: -70.245 tors. eta vs tors. theta energy: -107.746 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: 9 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -1068.857465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.857465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.857465 (E_RNA) where: Base-Base interactions energy: -698.888 where: short stacking energy: -304.327 Base-Backbone interact. energy: 3.047 local terms energy: -373.016062 where: bonds (distance) C4'-P energy: -75.025 bonds (distance) P-C4' energy: -88.998 flat angles C4'-P-C4' energy: -85.450 flat angles P-C4'-P energy: -56.652 tors. eta vs tors. theta energy: -66.891 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: 10, replica: 10 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -739.945047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.945047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.945047 (E_RNA) where: Base-Base interactions energy: -424.329 where: short stacking energy: -196.102 Base-Backbone interact. energy: -1.075 local terms energy: -314.542020 where: bonds (distance) C4'-P energy: -71.104 bonds (distance) P-C4' energy: -92.242 flat angles C4'-P-C4' energy: -75.691 flat angles P-C4'-P energy: -51.499 tors. eta vs tors. theta energy: -24.006 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: 3 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1810.795512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.795512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.795512 (E_RNA) where: Base-Base interactions energy: -1276.373 where: short stacking energy: -523.788 Base-Backbone interact. energy: -1.328 local terms energy: -533.094504 where: bonds (distance) C4'-P energy: -95.424 bonds (distance) P-C4' energy: -99.444 flat angles C4'-P-C4' energy: -106.304 flat angles P-C4'-P energy: -72.191 tors. eta vs tors. theta energy: -159.731 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: 8 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1766.211773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.211773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.211773 (E_RNA) where: Base-Base interactions energy: -1240.163 where: short stacking energy: -504.740 Base-Backbone interact. energy: -2.601 local terms energy: -523.446936 where: bonds (distance) C4'-P energy: -88.522 bonds (distance) P-C4' energy: -90.633 flat angles C4'-P-C4' energy: -111.201 flat angles P-C4'-P energy: -78.166 tors. eta vs tors. theta energy: -154.925 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: 2 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1713.291287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.291287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.291287 (E_RNA) where: Base-Base interactions energy: -1215.069 where: short stacking energy: -493.135 Base-Backbone interact. energy: 1.740 local terms energy: -499.962371 where: bonds (distance) C4'-P energy: -81.117 bonds (distance) P-C4' energy: -72.964 flat angles C4'-P-C4' energy: -111.965 flat angles P-C4'-P energy: -82.718 tors. eta vs tors. theta energy: -151.199 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: 7 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1629.896661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.896661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.896661 (E_RNA) where: Base-Base interactions energy: -1118.180 where: short stacking energy: -491.876 Base-Backbone interact. energy: -2.072 local terms energy: -509.645286 where: bonds (distance) C4'-P energy: -82.704 bonds (distance) P-C4' energy: -94.490 flat angles C4'-P-C4' energy: -116.694 flat angles P-C4'-P energy: -70.875 tors. eta vs tors. theta energy: -144.882 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: 253 Temperature: 1.100000 Total energy: -1475.575567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.575567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.575567 (E_RNA) where: Base-Base interactions energy: -1007.025 where: short stacking energy: -438.260 Base-Backbone interact. energy: 0.222 local terms energy: -468.771880 where: bonds (distance) C4'-P energy: -84.335 bonds (distance) P-C4' energy: -89.152 flat angles C4'-P-C4' energy: -95.078 flat angles P-C4'-P energy: -65.062 tors. eta vs tors. theta energy: -135.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1479.540561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.540561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.540561 (E_RNA) where: Base-Base interactions energy: -1005.515 where: short stacking energy: -388.456 Base-Backbone interact. energy: -1.850 local terms energy: -472.175014 where: bonds (distance) C4'-P energy: -91.178 bonds (distance) P-C4' energy: -86.010 flat angles C4'-P-C4' energy: -107.088 flat angles P-C4'-P energy: -66.919 tors. eta vs tors. theta energy: -120.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1346.169987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.169987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.169987 (E_RNA) where: Base-Base interactions energy: -933.757 where: short stacking energy: -394.218 Base-Backbone interact. energy: 1.187 local terms energy: -413.600384 where: bonds (distance) C4'-P energy: -65.971 bonds (distance) P-C4' energy: -84.395 flat angles C4'-P-C4' energy: -100.803 flat angles P-C4'-P energy: -52.061 tors. eta vs tors. theta energy: -110.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1287.361796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.361796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.361796 (E_RNA) where: Base-Base interactions energy: -876.209 where: short stacking energy: -359.355 Base-Backbone interact. energy: 0.294 local terms energy: -411.446729 where: bonds (distance) C4'-P energy: -71.636 bonds (distance) P-C4' energy: -73.888 flat angles C4'-P-C4' energy: -103.104 flat angles P-C4'-P energy: -55.648 tors. eta vs tors. theta energy: -107.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1032.086142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.086142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.086142 (E_RNA) where: Base-Base interactions energy: -694.916 where: short stacking energy: -290.554 Base-Backbone interact. energy: -1.751 local terms energy: -335.419023 where: bonds (distance) C4'-P energy: -65.557 bonds (distance) P-C4' energy: -73.062 flat angles C4'-P-C4' energy: -87.681 flat angles P-C4'-P energy: -38.668 tors. eta vs tors. theta energy: -70.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -756.488686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.488686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.488686 (E_RNA) where: Base-Base interactions energy: -437.632 where: short stacking energy: -214.336 Base-Backbone interact. energy: 0.153 local terms energy: -319.010104 where: bonds (distance) C4'-P energy: -82.183 bonds (distance) P-C4' energy: -82.177 flat angles C4'-P-C4' energy: -61.676 flat angles P-C4'-P energy: -61.414 tors. eta vs tors. theta energy: -31.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1827.645152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.645152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.645152 (E_RNA) where: Base-Base interactions energy: -1271.985 where: short stacking energy: -516.592 Base-Backbone interact. energy: -2.274 local terms energy: -553.386137 where: bonds (distance) C4'-P energy: -105.033 bonds (distance) P-C4' energy: -96.144 flat angles C4'-P-C4' energy: -115.370 flat angles P-C4'-P energy: -76.095 tors. eta vs tors. theta energy: -160.744 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: 8 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1790.110224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.110224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.110224 (E_RNA) where: Base-Base interactions energy: -1284.254 where: short stacking energy: -529.995 Base-Backbone interact. energy: -0.114 local terms energy: -505.741860 where: bonds (distance) C4'-P energy: -86.275 bonds (distance) P-C4' energy: -78.881 flat angles C4'-P-C4' energy: -110.312 flat angles P-C4'-P energy: -74.927 tors. eta vs tors. theta energy: -155.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1732.240010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.240010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.240010 (E_RNA) where: Base-Base interactions energy: -1220.850 where: short stacking energy: -498.988 Base-Backbone interact. energy: 7.962 local terms energy: -519.351607 where: bonds (distance) C4'-P energy: -85.573 bonds (distance) P-C4' energy: -89.946 flat angles C4'-P-C4' energy: -112.343 flat angles P-C4'-P energy: -81.122 tors. eta vs tors. theta energy: -150.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1574.922836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.922836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.922836 (E_RNA) where: Base-Base interactions energy: -1074.902 where: short stacking energy: -465.623 Base-Backbone interact. energy: -0.414 local terms energy: -499.607377 where: bonds (distance) C4'-P energy: -89.369 bonds (distance) P-C4' energy: -77.587 flat angles C4'-P-C4' energy: -107.539 flat angles P-C4'-P energy: -81.823 tors. eta vs tors. theta energy: -143.289 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: 4 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1533.142696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.142696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.142696 (E_RNA) where: Base-Base interactions energy: -1073.657 where: short stacking energy: -447.056 Base-Backbone interact. energy: 0.507 local terms energy: -459.992277 where: bonds (distance) C4'-P energy: -81.769 bonds (distance) P-C4' energy: -72.405 flat angles C4'-P-C4' energy: -104.886 flat angles P-C4'-P energy: -66.214 tors. eta vs tors. theta energy: -134.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1451.074179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.074179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.074179 (E_RNA) where: Base-Base interactions energy: -990.516 where: short stacking energy: -426.892 Base-Backbone interact. energy: -2.112 local terms energy: -458.445824 where: bonds (distance) C4'-P energy: -77.153 bonds (distance) P-C4' energy: -85.052 flat angles C4'-P-C4' energy: -96.859 flat angles P-C4'-P energy: -70.290 tors. eta vs tors. theta energy: -129.091 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: 6 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1364.315477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.315477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.315477 (E_RNA) where: Base-Base interactions energy: -943.313 where: short stacking energy: -404.862 Base-Backbone interact. energy: -1.791 local terms energy: -419.212083 where: bonds (distance) C4'-P energy: -66.271 bonds (distance) P-C4' energy: -83.339 flat angles C4'-P-C4' energy: -105.192 flat angles P-C4'-P energy: -55.913 tors. eta vs tors. theta energy: -108.497 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: 1 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1267.922162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.922162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.922162 (E_RNA) where: Base-Base interactions energy: -852.531 where: short stacking energy: -357.238 Base-Backbone interact. energy: -1.638 local terms energy: -413.753421 where: bonds (distance) C4'-P energy: -64.128 bonds (distance) P-C4' energy: -97.655 flat angles C4'-P-C4' energy: -100.240 flat angles P-C4'-P energy: -53.639 tors. eta vs tors. theta energy: -98.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -1093.364032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.364032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.364032 (E_RNA) where: Base-Base interactions energy: -709.217 where: short stacking energy: -300.040 Base-Backbone interact. energy: 1.034 local terms energy: -385.181184 where: bonds (distance) C4'-P energy: -92.775 bonds (distance) P-C4' energy: -88.734 flat angles C4'-P-C4' energy: -89.730 flat angles P-C4'-P energy: -39.271 tors. eta vs tors. theta energy: -74.671 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: 10 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -755.391063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.391063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.391063 (E_RNA) where: Base-Base interactions energy: -447.749 where: short stacking energy: -211.331 Base-Backbone interact. energy: -0.668 local terms energy: -306.974590 where: bonds (distance) C4'-P energy: -87.732 bonds (distance) P-C4' energy: -89.978 flat angles C4'-P-C4' energy: -60.788 flat angles P-C4'-P energy: -48.059 tors. eta vs tors. theta energy: -20.417 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: 3 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1833.097799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.097799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.097799 (E_RNA) where: Base-Base interactions energy: -1296.258 where: short stacking energy: -537.780 Base-Backbone interact. energy: 0.010 local terms energy: -536.850282 where: bonds (distance) C4'-P energy: -89.941 bonds (distance) P-C4' energy: -83.190 flat angles C4'-P-C4' energy: -117.992 flat angles P-C4'-P energy: -88.086 tors. eta vs tors. theta energy: -157.641 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: 2 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1763.052798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.052798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.052798 (E_RNA) where: Base-Base interactions energy: -1234.770 where: short stacking energy: -506.248 Base-Backbone interact. energy: -0.729 local terms energy: -527.554320 where: bonds (distance) C4'-P energy: -95.882 bonds (distance) P-C4' energy: -93.080 flat angles C4'-P-C4' energy: -106.445 flat angles P-C4'-P energy: -75.153 tors. eta vs tors. theta energy: -156.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1733.754237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.754237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.754237 (E_RNA) where: Base-Base interactions energy: -1199.654 where: short stacking energy: -465.400 Base-Backbone interact. energy: 2.674 local terms energy: -536.774719 where: bonds (distance) C4'-P energy: -95.412 bonds (distance) P-C4' energy: -103.100 flat angles C4'-P-C4' energy: -110.880 flat angles P-C4'-P energy: -75.774 tors. eta vs tors. theta energy: -151.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1621.158432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.158432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.158432 (E_RNA) where: Base-Base interactions energy: -1113.837 where: short stacking energy: -476.005 Base-Backbone interact. energy: -0.954 local terms energy: -506.367047 where: bonds (distance) C4'-P energy: -85.804 bonds (distance) P-C4' energy: -97.380 flat angles C4'-P-C4' energy: -102.072 flat angles P-C4'-P energy: -66.411 tors. eta vs tors. theta energy: -154.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1535.657582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.657582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.657582 (E_RNA) where: Base-Base interactions energy: -1055.120 where: short stacking energy: -419.098 Base-Backbone interact. energy: -1.516 local terms energy: -479.022027 where: bonds (distance) C4'-P energy: -87.205 bonds (distance) P-C4' energy: -93.066 flat angles C4'-P-C4' energy: -106.360 flat angles P-C4'-P energy: -62.742 tors. eta vs tors. theta energy: -129.650 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: 5 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1457.801476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.801476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.801476 (E_RNA) where: Base-Base interactions energy: -987.798 where: short stacking energy: -412.021 Base-Backbone interact. energy: 2.672 local terms energy: -472.675385 where: bonds (distance) C4'-P energy: -88.965 bonds (distance) P-C4' energy: -88.629 flat angles C4'-P-C4' energy: -103.669 flat angles P-C4'-P energy: -79.540 tors. eta vs tors. theta energy: -111.873 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: 6 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1352.387602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.387602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.387602 (E_RNA) where: Base-Base interactions energy: -926.141 where: short stacking energy: -385.024 Base-Backbone interact. energy: 0.698 local terms energy: -426.944907 where: bonds (distance) C4'-P energy: -89.193 bonds (distance) P-C4' energy: -88.359 flat angles C4'-P-C4' energy: -88.889 flat angles P-C4'-P energy: -55.377 tors. eta vs tors. theta energy: -105.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1291.078607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.078607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.078607 (E_RNA) where: Base-Base interactions energy: -861.548 where: short stacking energy: -357.860 Base-Backbone interact. energy: -1.880 local terms energy: -427.650801 where: bonds (distance) C4'-P energy: -83.375 bonds (distance) P-C4' energy: -75.183 flat angles C4'-P-C4' energy: -99.758 flat angles P-C4'-P energy: -58.803 tors. eta vs tors. theta energy: -110.531 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: 9, replica: 9 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1115.721302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.721302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.721302 (E_RNA) where: Base-Base interactions energy: -769.858 where: short stacking energy: -322.889 Base-Backbone interact. energy: 0.355 local terms energy: -346.218449 where: bonds (distance) C4'-P energy: -69.121 bonds (distance) P-C4' energy: -77.728 flat angles C4'-P-C4' energy: -85.780 flat angles P-C4'-P energy: -41.383 tors. eta vs tors. theta energy: -72.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -758.914190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.914190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.914190 (E_RNA) where: Base-Base interactions energy: -447.802 where: short stacking energy: -211.074 Base-Backbone interact. energy: 3.611 local terms energy: -314.723214 where: bonds (distance) C4'-P energy: -83.337 bonds (distance) P-C4' energy: -77.824 flat angles C4'-P-C4' energy: -75.194 flat angles P-C4'-P energy: -57.771 tors. eta vs tors. theta energy: -20.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1812.793091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.793091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.793091 (E_RNA) where: Base-Base interactions energy: -1269.477 where: short stacking energy: -515.338 Base-Backbone interact. energy: -0.620 local terms energy: -542.696564 where: bonds (distance) C4'-P energy: -95.864 bonds (distance) P-C4' energy: -88.501 flat angles C4'-P-C4' energy: -122.056 flat angles P-C4'-P energy: -71.967 tors. eta vs tors. theta energy: -164.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1775.743841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.743841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.743841 (E_RNA) where: Base-Base interactions energy: -1256.053 where: short stacking energy: -510.680 Base-Backbone interact. energy: 5.106 local terms energy: -524.796444 where: bonds (distance) C4'-P energy: -96.471 bonds (distance) P-C4' energy: -91.028 flat angles C4'-P-C4' energy: -112.022 flat angles P-C4'-P energy: -69.268 tors. eta vs tors. theta energy: -156.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1741.326578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.326578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.326578 (E_RNA) where: Base-Base interactions energy: -1226.443 where: short stacking energy: -507.457 Base-Backbone interact. energy: -0.176 local terms energy: -514.706822 where: bonds (distance) C4'-P energy: -89.882 bonds (distance) P-C4' energy: -80.021 flat angles C4'-P-C4' energy: -103.600 flat angles P-C4'-P energy: -81.445 tors. eta vs tors. theta energy: -159.759 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: 7 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1619.169126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.169126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.169126 (E_RNA) where: Base-Base interactions energy: -1114.114 where: short stacking energy: -463.236 Base-Backbone interact. energy: -2.735 local terms energy: -502.319802 where: bonds (distance) C4'-P energy: -77.211 bonds (distance) P-C4' energy: -84.389 flat angles C4'-P-C4' energy: -106.062 flat angles P-C4'-P energy: -79.143 tors. eta vs tors. theta energy: -155.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1538.991388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.991388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.991388 (E_RNA) where: Base-Base interactions energy: -1052.870 where: short stacking energy: -444.546 Base-Backbone interact. energy: -0.793 local terms energy: -485.328547 where: bonds (distance) C4'-P energy: -94.286 bonds (distance) P-C4' energy: -81.901 flat angles C4'-P-C4' energy: -103.537 flat angles P-C4'-P energy: -73.139 tors. eta vs tors. theta energy: -132.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1466.650256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.650256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.650256 (E_RNA) where: Base-Base interactions energy: -999.570 where: short stacking energy: -421.764 Base-Backbone interact. energy: -0.876 local terms energy: -466.204791 where: bonds (distance) C4'-P energy: -80.650 bonds (distance) P-C4' energy: -93.341 flat angles C4'-P-C4' energy: -101.584 flat angles P-C4'-P energy: -67.684 tors. eta vs tors. theta energy: -122.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1380.542746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.542746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.542746 (E_RNA) where: Base-Base interactions energy: -942.262 where: short stacking energy: -388.447 Base-Backbone interact. energy: 0.468 local terms energy: -438.748755 where: bonds (distance) C4'-P energy: -94.519 bonds (distance) P-C4' energy: -81.259 flat angles C4'-P-C4' energy: -84.093 flat angles P-C4'-P energy: -68.692 tors. eta vs tors. theta energy: -110.185 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: 1 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1268.581737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.581737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.581737 (E_RNA) where: Base-Base interactions energy: -872.422 where: short stacking energy: -352.168 Base-Backbone interact. energy: -1.953 local terms energy: -394.206880 where: bonds (distance) C4'-P energy: -67.708 bonds (distance) P-C4' energy: -71.311 flat angles C4'-P-C4' energy: -91.550 flat angles P-C4'-P energy: -60.626 tors. eta vs tors. theta energy: -103.012 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: 9, replica: 9 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1114.110753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.110753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.110753 (E_RNA) where: Base-Base interactions energy: -732.477 where: short stacking energy: -308.488 Base-Backbone interact. energy: 4.057 local terms energy: -385.690816 where: bonds (distance) C4'-P energy: -83.121 bonds (distance) P-C4' energy: -79.120 flat angles C4'-P-C4' energy: -89.313 flat angles P-C4'-P energy: -65.818 tors. eta vs tors. theta energy: -68.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -779.842785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.842785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.842785 (E_RNA) where: Base-Base interactions energy: -475.656 where: short stacking energy: -223.347 Base-Backbone interact. energy: -0.508 local terms energy: -303.678600 where: bonds (distance) C4'-P energy: -75.482 bonds (distance) P-C4' energy: -79.925 flat angles C4'-P-C4' energy: -62.896 flat angles P-C4'-P energy: -41.269 tors. eta vs tors. theta energy: -44.106 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: 1, replica: 3 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1798.126460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.126460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.126460 (E_RNA) where: Base-Base interactions energy: -1265.847 where: short stacking energy: -525.094 Base-Backbone interact. energy: 1.899 local terms energy: -534.178175 where: bonds (distance) C4'-P energy: -103.433 bonds (distance) P-C4' energy: -93.799 flat angles C4'-P-C4' energy: -108.055 flat angles P-C4'-P energy: -71.603 tors. eta vs tors. theta energy: -157.288 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: 8 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1779.576781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.576781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.576781 (E_RNA) where: Base-Base interactions energy: -1241.390 where: short stacking energy: -513.202 Base-Backbone interact. energy: 0.630 local terms energy: -538.816577 where: bonds (distance) C4'-P energy: -105.284 bonds (distance) P-C4' energy: -86.333 flat angles C4'-P-C4' energy: -109.404 flat angles P-C4'-P energy: -78.572 tors. eta vs tors. theta energy: -159.224 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: 2 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1783.452793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.452793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.452793 (E_RNA) where: Base-Base interactions energy: -1262.311 where: short stacking energy: -508.971 Base-Backbone interact. energy: -1.163 local terms energy: -519.978763 where: bonds (distance) C4'-P energy: -83.045 bonds (distance) P-C4' energy: -90.022 flat angles C4'-P-C4' energy: -105.076 flat angles P-C4'-P energy: -79.483 tors. eta vs tors. theta energy: -162.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1641.828569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.828569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.828569 (E_RNA) where: Base-Base interactions energy: -1125.542 where: short stacking energy: -455.939 Base-Backbone interact. energy: -1.019 local terms energy: -515.267704 where: bonds (distance) C4'-P energy: -100.054 bonds (distance) P-C4' energy: -98.254 flat angles C4'-P-C4' energy: -102.590 flat angles P-C4'-P energy: -68.444 tors. eta vs tors. theta energy: -145.925 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: 4 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1546.070501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.070501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.070501 (E_RNA) where: Base-Base interactions energy: -1076.377 where: short stacking energy: -468.570 Base-Backbone interact. energy: -0.981 local terms energy: -468.712120 where: bonds (distance) C4'-P energy: -78.520 bonds (distance) P-C4' energy: -84.375 flat angles C4'-P-C4' energy: -104.336 flat angles P-C4'-P energy: -66.224 tors. eta vs tors. theta energy: -135.258 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: 257 Temperature: 1.150000 Total energy: -1422.363733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.363733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.363733 (E_RNA) where: Base-Base interactions energy: -985.527 where: short stacking energy: -395.807 Base-Backbone interact. energy: -0.679 local terms energy: -436.156970 where: bonds (distance) C4'-P energy: -85.434 bonds (distance) P-C4' energy: -88.974 flat angles C4'-P-C4' energy: -98.617 flat angles P-C4'-P energy: -53.986 tors. eta vs tors. theta energy: -109.146 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: 6 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1383.090343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.090343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.090343 (E_RNA) where: Base-Base interactions energy: -931.748 where: short stacking energy: -377.607 Base-Backbone interact. energy: -0.773 local terms energy: -450.569486 where: bonds (distance) C4'-P energy: -85.778 bonds (distance) P-C4' energy: -78.934 flat angles C4'-P-C4' energy: -105.480 flat angles P-C4'-P energy: -71.318 tors. eta vs tors. theta energy: -109.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1264.821944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.821944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.821944 (E_RNA) where: Base-Base interactions energy: -864.403 where: short stacking energy: -364.821 Base-Backbone interact. energy: 1.064 local terms energy: -401.482460 where: bonds (distance) C4'-P energy: -72.651 bonds (distance) P-C4' energy: -85.815 flat angles C4'-P-C4' energy: -88.197 flat angles P-C4'-P energy: -53.912 tors. eta vs tors. theta energy: -100.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -1104.211437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.211437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.211437 (E_RNA) where: Base-Base interactions energy: -714.697 where: short stacking energy: -289.644 Base-Backbone interact. energy: 0.653 local terms energy: -390.167911 where: bonds (distance) C4'-P energy: -78.191 bonds (distance) P-C4' energy: -73.441 flat angles C4'-P-C4' energy: -97.735 flat angles P-C4'-P energy: -62.346 tors. eta vs tors. theta energy: -78.456 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: 10 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -761.078550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.078550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.078550 (E_RNA) where: Base-Base interactions energy: -418.012 where: short stacking energy: -180.379 Base-Backbone interact. energy: -3.780 local terms energy: -339.287155 where: bonds (distance) C4'-P energy: -77.913 bonds (distance) P-C4' energy: -94.748 flat angles C4'-P-C4' energy: -81.851 flat angles P-C4'-P energy: -49.829 tors. eta vs tors. theta energy: -34.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1779.995023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.995023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.995023 (E_RNA) where: Base-Base interactions energy: -1254.914 where: short stacking energy: -498.737 Base-Backbone interact. energy: -2.185 local terms energy: -522.896212 where: bonds (distance) C4'-P energy: -93.436 bonds (distance) P-C4' energy: -93.430 flat angles C4'-P-C4' energy: -114.096 flat angles P-C4'-P energy: -65.040 tors. eta vs tors. theta energy: -156.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1819.906202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.906202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.906202 (E_RNA) where: Base-Base interactions energy: -1285.155 where: short stacking energy: -514.598 Base-Backbone interact. energy: -1.040 local terms energy: -533.710797 where: bonds (distance) C4'-P energy: -87.463 bonds (distance) P-C4' energy: -82.182 flat angles C4'-P-C4' energy: -114.562 flat angles P-C4'-P energy: -87.318 tors. eta vs tors. theta energy: -162.185 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: 2 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1772.274185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.274185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.274185 (E_RNA) where: Base-Base interactions energy: -1265.915 where: short stacking energy: -510.840 Base-Backbone interact. energy: -1.606 local terms energy: -504.752522 where: bonds (distance) C4'-P energy: -80.878 bonds (distance) P-C4' energy: -86.238 flat angles C4'-P-C4' energy: -113.432 flat angles P-C4'-P energy: -67.079 tors. eta vs tors. theta energy: -157.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1676.157420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.157420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.157420 (E_RNA) where: Base-Base interactions energy: -1179.861 where: short stacking energy: -481.836 Base-Backbone interact. energy: -1.759 local terms energy: -494.538139 where: bonds (distance) C4'-P energy: -73.963 bonds (distance) P-C4' energy: -95.604 flat angles C4'-P-C4' energy: -104.562 flat angles P-C4'-P energy: -67.477 tors. eta vs tors. theta energy: -152.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1519.724637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.724637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.724637 (E_RNA) where: Base-Base interactions energy: -1046.753 where: short stacking energy: -435.522 Base-Backbone interact. energy: -0.046 local terms energy: -472.925962 where: bonds (distance) C4'-P energy: -91.233 bonds (distance) P-C4' energy: -70.995 flat angles C4'-P-C4' energy: -103.192 flat angles P-C4'-P energy: -70.895 tors. eta vs tors. theta energy: -136.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1448.684030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.684030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.684030 (E_RNA) where: Base-Base interactions energy: -1018.027 where: short stacking energy: -411.097 Base-Backbone interact. energy: 0.133 local terms energy: -430.790428 where: bonds (distance) C4'-P energy: -84.504 bonds (distance) P-C4' energy: -76.370 flat angles C4'-P-C4' energy: -90.280 flat angles P-C4'-P energy: -55.368 tors. eta vs tors. theta energy: -124.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1354.340664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.340664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.340664 (E_RNA) where: Base-Base interactions energy: -911.852 where: short stacking energy: -389.852 Base-Backbone interact. energy: -2.559 local terms energy: -439.929631 where: bonds (distance) C4'-P energy: -79.389 bonds (distance) P-C4' energy: -86.925 flat angles C4'-P-C4' energy: -102.841 flat angles P-C4'-P energy: -63.396 tors. eta vs tors. theta energy: -107.378 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: 1 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1274.048896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.048896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.048896 (E_RNA) where: Base-Base interactions energy: -861.653 where: short stacking energy: -363.061 Base-Backbone interact. energy: -1.664 local terms energy: -410.731556 where: bonds (distance) C4'-P energy: -70.654 bonds (distance) P-C4' energy: -87.533 flat angles C4'-P-C4' energy: -87.106 flat angles P-C4'-P energy: -61.751 tors. eta vs tors. theta energy: -103.687 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: 9 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -1109.517444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.517444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.517444 (E_RNA) where: Base-Base interactions energy: -759.035 where: short stacking energy: -317.757 Base-Backbone interact. energy: 0.837 local terms energy: -351.320016 where: bonds (distance) C4'-P energy: -67.053 bonds (distance) P-C4' energy: -75.627 flat angles C4'-P-C4' energy: -80.419 flat angles P-C4'-P energy: -50.491 tors. eta vs tors. theta energy: -77.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -750.192325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.192325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.192325 (E_RNA) where: Base-Base interactions energy: -432.548 where: short stacking energy: -196.475 Base-Backbone interact. energy: -1.350 local terms energy: -316.294237 where: bonds (distance) C4'-P energy: -78.657 bonds (distance) P-C4' energy: -93.954 flat angles C4'-P-C4' energy: -75.295 flat angles P-C4'-P energy: -39.469 tors. eta vs tors. theta energy: -28.919 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: 8 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1777.454785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.454785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.454785 (E_RNA) where: Base-Base interactions energy: -1255.621 where: short stacking energy: -494.794 Base-Backbone interact. energy: -0.078 local terms energy: -521.755971 where: bonds (distance) C4'-P energy: -86.242 bonds (distance) P-C4' energy: -92.525 flat angles C4'-P-C4' energy: -107.271 flat angles P-C4'-P energy: -81.389 tors. eta vs tors. theta energy: -154.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1819.406893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.406893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.406893 (E_RNA) where: Base-Base interactions energy: -1277.065 where: short stacking energy: -514.759 Base-Backbone interact. energy: -2.275 local terms energy: -540.066794 where: bonds (distance) C4'-P energy: -101.453 bonds (distance) P-C4' energy: -101.240 flat angles C4'-P-C4' energy: -105.392 flat angles P-C4'-P energy: -70.599 tors. eta vs tors. theta energy: -161.383 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: 3, replica: 3 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1771.697088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.697088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.697088 (E_RNA) where: Base-Base interactions energy: -1260.991 where: short stacking energy: -501.873 Base-Backbone interact. energy: 0.750 local terms energy: -511.455761 where: bonds (distance) C4'-P energy: -84.977 bonds (distance) P-C4' energy: -84.619 flat angles C4'-P-C4' energy: -107.164 flat angles P-C4'-P energy: -78.063 tors. eta vs tors. theta energy: -156.632 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: 7 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1678.800450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.800450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.800450 (E_RNA) where: Base-Base interactions energy: -1156.964 where: short stacking energy: -481.872 Base-Backbone interact. energy: -0.585 local terms energy: -521.251339 where: bonds (distance) C4'-P energy: -87.799 bonds (distance) P-C4' energy: -96.007 flat angles C4'-P-C4' energy: -104.474 flat angles P-C4'-P energy: -78.119 tors. eta vs tors. theta energy: -154.851 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: 4 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1527.588350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.588350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.588350 (E_RNA) where: Base-Base interactions energy: -1045.209 where: short stacking energy: -440.253 Base-Backbone interact. energy: -1.984 local terms energy: -480.395350 where: bonds (distance) C4'-P energy: -86.803 bonds (distance) P-C4' energy: -88.254 flat angles C4'-P-C4' energy: -100.824 flat angles P-C4'-P energy: -65.500 tors. eta vs tors. theta energy: -139.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1404.824117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.824117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.824117 (E_RNA) where: Base-Base interactions energy: -943.903 where: short stacking energy: -389.190 Base-Backbone interact. energy: 1.178 local terms energy: -462.099043 where: bonds (distance) C4'-P energy: -94.508 bonds (distance) P-C4' energy: -76.742 flat angles C4'-P-C4' energy: -102.474 flat angles P-C4'-P energy: -68.805 tors. eta vs tors. theta energy: -119.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1381.759894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.759894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.759894 (E_RNA) where: Base-Base interactions energy: -947.923 where: short stacking energy: -367.357 Base-Backbone interact. energy: -0.311 local terms energy: -433.525176 where: bonds (distance) C4'-P energy: -94.373 bonds (distance) P-C4' energy: -81.115 flat angles C4'-P-C4' energy: -85.872 flat angles P-C4'-P energy: -68.185 tors. eta vs tors. theta energy: -103.980 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: 1 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1275.022866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.022866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.022866 (E_RNA) where: Base-Base interactions energy: -854.745 where: short stacking energy: -356.954 Base-Backbone interact. energy: -0.063 local terms energy: -420.215386 where: bonds (distance) C4'-P energy: -84.304 bonds (distance) P-C4' energy: -79.824 flat angles C4'-P-C4' energy: -91.655 flat angles P-C4'-P energy: -69.124 tors. eta vs tors. theta energy: -95.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1095.618663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.618663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.618663 (E_RNA) where: Base-Base interactions energy: -710.063 where: short stacking energy: -303.272 Base-Backbone interact. energy: 0.632 local terms energy: -386.187264 where: bonds (distance) C4'-P energy: -90.561 bonds (distance) P-C4' energy: -78.475 flat angles C4'-P-C4' energy: -81.287 flat angles P-C4'-P energy: -56.320 tors. eta vs tors. theta energy: -79.545 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: 10 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -724.531698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.531698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.531698 (E_RNA) where: Base-Base interactions energy: -429.439 where: short stacking energy: -196.314 Base-Backbone interact. energy: 1.906 local terms energy: -296.999161 where: bonds (distance) C4'-P energy: -77.812 bonds (distance) P-C4' energy: -77.480 flat angles C4'-P-C4' energy: -77.121 flat angles P-C4'-P energy: -36.705 tors. eta vs tors. theta energy: -27.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1863.983244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.983244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.983244 (E_RNA) where: Base-Base interactions energy: -1307.547 where: short stacking energy: -546.707 Base-Backbone interact. energy: -1.292 local terms energy: -555.144028 where: bonds (distance) C4'-P energy: -87.260 bonds (distance) P-C4' energy: -100.252 flat angles C4'-P-C4' energy: -122.282 flat angles P-C4'-P energy: -73.841 tors. eta vs tors. theta energy: -171.508 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: 2, replica: 8 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1757.230413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.230413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.230413 (E_RNA) where: Base-Base interactions energy: -1219.430 where: short stacking energy: -510.998 Base-Backbone interact. energy: -0.223 local terms energy: -537.577110 where: bonds (distance) C4'-P energy: -82.932 bonds (distance) P-C4' energy: -100.269 flat angles C4'-P-C4' energy: -112.137 flat angles P-C4'-P energy: -87.322 tors. eta vs tors. theta energy: -154.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1764.156438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.156438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.156438 (E_RNA) where: Base-Base interactions energy: -1246.000 where: short stacking energy: -512.556 Base-Backbone interact. energy: -0.287 local terms energy: -517.869361 where: bonds (distance) C4'-P energy: -89.629 bonds (distance) P-C4' energy: -91.242 flat angles C4'-P-C4' energy: -109.474 flat angles P-C4'-P energy: -75.697 tors. eta vs tors. theta energy: -151.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1680.722432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.722432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.722432 (E_RNA) where: Base-Base interactions energy: -1166.872 where: short stacking energy: -474.363 Base-Backbone interact. energy: -1.180 local terms energy: -512.670266 where: bonds (distance) C4'-P energy: -91.171 bonds (distance) P-C4' energy: -93.230 flat angles C4'-P-C4' energy: -114.700 flat angles P-C4'-P energy: -60.427 tors. eta vs tors. theta energy: -153.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1512.450484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.450484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.450484 (E_RNA) where: Base-Base interactions energy: -1047.360 where: short stacking energy: -434.245 Base-Backbone interact. energy: -0.957 local terms energy: -464.132781 where: bonds (distance) C4'-P energy: -92.567 bonds (distance) P-C4' energy: -93.754 flat angles C4'-P-C4' energy: -90.498 flat angles P-C4'-P energy: -59.439 tors. eta vs tors. theta energy: -127.875 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: 6, replica: 6 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1389.343102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.343102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.343102 (E_RNA) where: Base-Base interactions energy: -944.885 where: short stacking energy: -391.605 Base-Backbone interact. energy: 0.040 local terms energy: -444.497559 where: bonds (distance) C4'-P energy: -73.323 bonds (distance) P-C4' energy: -100.668 flat angles C4'-P-C4' energy: -87.758 flat angles P-C4'-P energy: -65.691 tors. eta vs tors. theta energy: -117.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1363.304368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.304368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.304368 (E_RNA) where: Base-Base interactions energy: -902.742 where: short stacking energy: -378.113 Base-Backbone interact. energy: -1.942 local terms energy: -458.620326 where: bonds (distance) C4'-P energy: -96.266 bonds (distance) P-C4' energy: -91.089 flat angles C4'-P-C4' energy: -101.717 flat angles P-C4'-P energy: -58.260 tors. eta vs tors. theta energy: -111.288 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: 260 Temperature: 1.250000 Total energy: -1282.703434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.703434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.703434 (E_RNA) where: Base-Base interactions energy: -864.253 where: short stacking energy: -365.106 Base-Backbone interact. energy: -0.590 local terms energy: -417.860885 where: bonds (distance) C4'-P energy: -78.140 bonds (distance) P-C4' energy: -86.776 flat angles C4'-P-C4' energy: -99.901 flat angles P-C4'-P energy: -53.446 tors. eta vs tors. theta energy: -99.599 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: 9 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1058.780896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.780896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.780896 (E_RNA) where: Base-Base interactions energy: -728.782 where: short stacking energy: -318.566 Base-Backbone interact. energy: -0.762 local terms energy: -329.237616 where: bonds (distance) C4'-P energy: -69.801 bonds (distance) P-C4' energy: -76.274 flat angles C4'-P-C4' energy: -75.001 flat angles P-C4'-P energy: -45.751 tors. eta vs tors. theta energy: -62.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -727.168035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.168035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.168035 (E_RNA) where: Base-Base interactions energy: -436.885 where: short stacking energy: -206.358 Base-Backbone interact. energy: 7.746 local terms energy: -298.029621 where: bonds (distance) C4'-P energy: -86.729 bonds (distance) P-C4' energy: -76.647 flat angles C4'-P-C4' energy: -69.161 flat angles P-C4'-P energy: -35.662 tors. eta vs tors. theta energy: -29.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1874.533402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.533402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.533402 (E_RNA) where: Base-Base interactions energy: -1302.208 where: short stacking energy: -536.578 Base-Backbone interact. energy: -0.839 local terms energy: -571.485803 where: bonds (distance) C4'-P energy: -96.755 bonds (distance) P-C4' energy: -110.380 flat angles C4'-P-C4' energy: -116.603 flat angles P-C4'-P energy: -82.913 tors. eta vs tors. theta energy: -164.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1834.971458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.971458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.971458 (E_RNA) where: Base-Base interactions energy: -1306.490 where: short stacking energy: -528.472 Base-Backbone interact. energy: -3.235 local terms energy: -525.245957 where: bonds (distance) C4'-P energy: -79.366 bonds (distance) P-C4' energy: -100.244 flat angles C4'-P-C4' energy: -105.067 flat angles P-C4'-P energy: -78.392 tors. eta vs tors. theta energy: -162.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1751.908787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.908787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.908787 (E_RNA) where: Base-Base interactions energy: -1228.338 where: short stacking energy: -485.693 Base-Backbone interact. energy: -0.213 local terms energy: -523.358268 where: bonds (distance) C4'-P energy: -99.397 bonds (distance) P-C4' energy: -85.691 flat angles C4'-P-C4' energy: -117.561 flat angles P-C4'-P energy: -72.567 tors. eta vs tors. theta energy: -148.142 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: 7 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1678.642447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.642447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.642447 (E_RNA) where: Base-Base interactions energy: -1181.695 where: short stacking energy: -496.013 Base-Backbone interact. energy: -0.624 local terms energy: -496.324150 where: bonds (distance) C4'-P energy: -81.718 bonds (distance) P-C4' energy: -83.704 flat angles C4'-P-C4' energy: -112.457 flat angles P-C4'-P energy: -76.075 tors. eta vs tors. theta energy: -142.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1526.959140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.959140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.959140 (E_RNA) where: Base-Base interactions energy: -1047.426 where: short stacking energy: -442.136 Base-Backbone interact. energy: -0.628 local terms energy: -478.905108 where: bonds (distance) C4'-P energy: -71.324 bonds (distance) P-C4' energy: -100.197 flat angles C4'-P-C4' energy: -97.674 flat angles P-C4'-P energy: -68.838 tors. eta vs tors. theta energy: -140.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1427.931482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.931482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.931482 (E_RNA) where: Base-Base interactions energy: -973.288 where: short stacking energy: -406.607 Base-Backbone interact. energy: -0.621 local terms energy: -454.022487 where: bonds (distance) C4'-P energy: -91.980 bonds (distance) P-C4' energy: -80.578 flat angles C4'-P-C4' energy: -91.340 flat angles P-C4'-P energy: -72.476 tors. eta vs tors. theta energy: -117.649 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: 7, replica: 6 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1309.167931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.167931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.167931 (E_RNA) where: Base-Base interactions energy: -866.087 where: short stacking energy: -359.902 Base-Backbone interact. energy: 0.770 local terms energy: -443.850824 where: bonds (distance) C4'-P energy: -87.039 bonds (distance) P-C4' energy: -89.630 flat angles C4'-P-C4' energy: -98.081 flat angles P-C4'-P energy: -63.038 tors. eta vs tors. theta energy: -106.063 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: 8, replica: 1 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1270.038087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.038087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.038087 (E_RNA) where: Base-Base interactions energy: -882.532 where: short stacking energy: -377.856 Base-Backbone interact. energy: 0.989 local terms energy: -388.495365 where: bonds (distance) C4'-P energy: -90.916 bonds (distance) P-C4' energy: -61.927 flat angles C4'-P-C4' energy: -80.798 flat angles P-C4'-P energy: -53.606 tors. eta vs tors. theta energy: -101.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1082.066298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.066298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.066298 (E_RNA) where: Base-Base interactions energy: -716.478 where: short stacking energy: -303.228 Base-Backbone interact. energy: -0.756 local terms energy: -364.832582 where: bonds (distance) C4'-P energy: -83.246 bonds (distance) P-C4' energy: -79.982 flat angles C4'-P-C4' energy: -75.167 flat angles P-C4'-P energy: -57.785 tors. eta vs tors. theta energy: -68.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -738.958966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.958966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.958966 (E_RNA) where: Base-Base interactions energy: -438.902 where: short stacking energy: -198.839 Base-Backbone interact. energy: 2.360 local terms energy: -302.416682 where: bonds (distance) C4'-P energy: -80.337 bonds (distance) P-C4' energy: -64.834 flat angles C4'-P-C4' energy: -68.633 flat angles P-C4'-P energy: -57.844 tors. eta vs tors. theta energy: -30.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1858.235004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.235004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.235004 (E_RNA) where: Base-Base interactions energy: -1303.199 where: short stacking energy: -524.844 Base-Backbone interact. energy: -1.808 local terms energy: -553.228560 where: bonds (distance) C4'-P energy: -96.956 bonds (distance) P-C4' energy: -104.540 flat angles C4'-P-C4' energy: -108.276 flat angles P-C4'-P energy: -80.795 tors. eta vs tors. theta energy: -162.662 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: 3 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1820.049431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.049431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.049431 (E_RNA) where: Base-Base interactions energy: -1280.811 where: short stacking energy: -511.677 Base-Backbone interact. energy: 1.232 local terms energy: -540.470958 where: bonds (distance) C4'-P energy: -95.825 bonds (distance) P-C4' energy: -95.295 flat angles C4'-P-C4' energy: -107.676 flat angles P-C4'-P energy: -84.839 tors. eta vs tors. theta energy: -156.835 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: 8 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1732.692531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.692531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.692531 (E_RNA) where: Base-Base interactions energy: -1228.218 where: short stacking energy: -478.687 Base-Backbone interact. energy: -2.065 local terms energy: -502.409350 where: bonds (distance) C4'-P energy: -82.840 bonds (distance) P-C4' energy: -95.613 flat angles C4'-P-C4' energy: -103.678 flat angles P-C4'-P energy: -73.028 tors. eta vs tors. theta energy: -147.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1668.251307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.251307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.251307 (E_RNA) where: Base-Base interactions energy: -1149.127 where: short stacking energy: -471.120 Base-Backbone interact. energy: -0.042 local terms energy: -519.082086 where: bonds (distance) C4'-P energy: -81.745 bonds (distance) P-C4' energy: -93.141 flat angles C4'-P-C4' energy: -112.541 flat angles P-C4'-P energy: -76.935 tors. eta vs tors. theta energy: -154.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1520.940388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.940388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.940388 (E_RNA) where: Base-Base interactions energy: -1025.698 where: short stacking energy: -431.832 Base-Backbone interact. energy: -0.665 local terms energy: -494.577594 where: bonds (distance) C4'-P energy: -101.831 bonds (distance) P-C4' energy: -95.062 flat angles C4'-P-C4' energy: -106.723 flat angles P-C4'-P energy: -64.600 tors. eta vs tors. theta energy: -126.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1408.844011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.844011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.844011 (E_RNA) where: Base-Base interactions energy: -977.436 where: short stacking energy: -405.740 Base-Backbone interact. energy: 2.743 local terms energy: -434.151137 where: bonds (distance) C4'-P energy: -79.977 bonds (distance) P-C4' energy: -86.239 flat angles C4'-P-C4' energy: -94.440 flat angles P-C4'-P energy: -60.031 tors. eta vs tors. theta energy: -113.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1289.004350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.004350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.004350 (E_RNA) where: Base-Base interactions energy: -876.884 where: short stacking energy: -384.183 Base-Backbone interact. energy: -1.902 local terms energy: -410.218159 where: bonds (distance) C4'-P energy: -68.691 bonds (distance) P-C4' energy: -87.167 flat angles C4'-P-C4' energy: -91.877 flat angles P-C4'-P energy: -60.067 tors. eta vs tors. theta energy: -102.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1298.455771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.455771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.455771 (E_RNA) where: Base-Base interactions energy: -876.322 where: short stacking energy: -371.529 Base-Backbone interact. energy: -1.434 local terms energy: -420.699863 where: bonds (distance) C4'-P energy: -73.383 bonds (distance) P-C4' energy: -99.596 flat angles C4'-P-C4' energy: -96.576 flat angles P-C4'-P energy: -48.383 tors. eta vs tors. theta energy: -102.762 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: 9 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1088.582626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.582626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.582626 (E_RNA) where: Base-Base interactions energy: -733.916 where: short stacking energy: -304.446 Base-Backbone interact. energy: -0.228 local terms energy: -354.438501 where: bonds (distance) C4'-P energy: -80.114 bonds (distance) P-C4' energy: -69.848 flat angles C4'-P-C4' energy: -74.961 flat angles P-C4'-P energy: -58.773 tors. eta vs tors. theta energy: -70.743 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: 10, replica: 10 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -827.932917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.932917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.932917 (E_RNA) where: Base-Base interactions energy: -536.695 where: short stacking energy: -247.642 Base-Backbone interact. energy: -2.067 local terms energy: -289.171611 where: bonds (distance) C4'-P energy: -84.501 bonds (distance) P-C4' energy: -73.961 flat angles C4'-P-C4' energy: -65.996 flat angles P-C4'-P energy: -21.264 tors. eta vs tors. theta energy: -43.450 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: 263 Temperature: 0.900000 Total energy: -1867.372244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.372244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.372244 (E_RNA) where: Base-Base interactions energy: -1324.395 where: short stacking energy: -535.415 Base-Backbone interact. energy: -2.300 local terms energy: -540.677202 where: bonds (distance) C4'-P energy: -86.178 bonds (distance) P-C4' energy: -99.368 flat angles C4'-P-C4' energy: -113.084 flat angles P-C4'-P energy: -77.798 tors. eta vs tors. theta energy: -164.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1783.396568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.396568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.396568 (E_RNA) where: Base-Base interactions energy: -1256.978 where: short stacking energy: -511.791 Base-Backbone interact. energy: 5.184 local terms energy: -531.602109 where: bonds (distance) C4'-P energy: -96.345 bonds (distance) P-C4' energy: -81.013 flat angles C4'-P-C4' energy: -114.021 flat angles P-C4'-P energy: -82.998 tors. eta vs tors. theta energy: -157.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1725.858620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.858620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.858620 (E_RNA) where: Base-Base interactions energy: -1197.265 where: short stacking energy: -496.341 Base-Backbone interact. energy: 0.270 local terms energy: -528.864028 where: bonds (distance) C4'-P energy: -89.684 bonds (distance) P-C4' energy: -94.352 flat angles C4'-P-C4' energy: -112.130 flat angles P-C4'-P energy: -77.913 tors. eta vs tors. theta energy: -154.785 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: 7 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1635.765646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.765646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.765646 (E_RNA) where: Base-Base interactions energy: -1135.236 where: short stacking energy: -465.614 Base-Backbone interact. energy: 0.235 local terms energy: -500.764910 where: bonds (distance) C4'-P energy: -86.735 bonds (distance) P-C4' energy: -90.457 flat angles C4'-P-C4' energy: -105.126 flat angles P-C4'-P energy: -72.916 tors. eta vs tors. theta energy: -145.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -1498.715893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.715893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.715893 (E_RNA) where: Base-Base interactions energy: -1030.304 where: short stacking energy: -412.263 Base-Backbone interact. energy: 1.579 local terms energy: -469.991661 where: bonds (distance) C4'-P energy: -84.522 bonds (distance) P-C4' energy: -88.207 flat angles C4'-P-C4' energy: -108.790 flat angles P-C4'-P energy: -62.218 tors. eta vs tors. theta energy: -126.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1463.392979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.392979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.392979 (E_RNA) where: Base-Base interactions energy: -993.458 where: short stacking energy: -398.441 Base-Backbone interact. energy: 0.179 local terms energy: -470.113524 where: bonds (distance) C4'-P energy: -76.184 bonds (distance) P-C4' energy: -103.716 flat angles C4'-P-C4' energy: -99.395 flat angles P-C4'-P energy: -66.314 tors. eta vs tors. theta energy: -124.504 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: 263 Temperature: 1.200000 Total energy: -1328.306236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.306236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.306236 (E_RNA) where: Base-Base interactions energy: -921.308 where: short stacking energy: -399.312 Base-Backbone interact. energy: -1.797 local terms energy: -405.200663 where: bonds (distance) C4'-P energy: -72.526 bonds (distance) P-C4' energy: -78.556 flat angles C4'-P-C4' energy: -96.507 flat angles P-C4'-P energy: -57.545 tors. eta vs tors. theta energy: -100.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1212.753461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.753461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.753461 (E_RNA) where: Base-Base interactions energy: -822.586 where: short stacking energy: -332.448 Base-Backbone interact. energy: -1.067 local terms energy: -389.101284 where: bonds (distance) C4'-P energy: -73.992 bonds (distance) P-C4' energy: -79.823 flat angles C4'-P-C4' energy: -94.270 flat angles P-C4'-P energy: -52.637 tors. eta vs tors. theta energy: -88.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -1073.451011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.451011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.451011 (E_RNA) where: Base-Base interactions energy: -721.891 where: short stacking energy: -311.189 Base-Backbone interact. energy: 1.905 local terms energy: -353.464750 where: bonds (distance) C4'-P energy: -75.718 bonds (distance) P-C4' energy: -81.455 flat angles C4'-P-C4' energy: -78.984 flat angles P-C4'-P energy: -48.368 tors. eta vs tors. theta energy: -68.940 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: 10 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -774.833298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.833298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.833298 (E_RNA) where: Base-Base interactions energy: -447.695 where: short stacking energy: -205.804 Base-Backbone interact. energy: -1.411 local terms energy: -325.728011 where: bonds (distance) C4'-P energy: -91.065 bonds (distance) P-C4' energy: -84.207 flat angles C4'-P-C4' energy: -68.440 flat angles P-C4'-P energy: -56.358 tors. eta vs tors. theta energy: -25.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1887.475767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.475767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.475767 (E_RNA) where: Base-Base interactions energy: -1327.752 where: short stacking energy: -535.961 Base-Backbone interact. energy: -1.868 local terms energy: -557.855650 where: bonds (distance) C4'-P energy: -89.601 bonds (distance) P-C4' energy: -100.837 flat angles C4'-P-C4' energy: -113.286 flat angles P-C4'-P energy: -87.733 tors. eta vs tors. theta energy: -166.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1813.713587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.713587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.713587 (E_RNA) where: Base-Base interactions energy: -1282.646 where: short stacking energy: -516.041 Base-Backbone interact. energy: 1.190 local terms energy: -532.257230 where: bonds (distance) C4'-P energy: -88.598 bonds (distance) P-C4' energy: -102.697 flat angles C4'-P-C4' energy: -106.237 flat angles P-C4'-P energy: -78.967 tors. eta vs tors. theta energy: -155.759 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: 8 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1708.705229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.705229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.705229 (E_RNA) where: Base-Base interactions energy: -1215.969 where: short stacking energy: -479.328 Base-Backbone interact. energy: -0.718 local terms energy: -492.018379 where: bonds (distance) C4'-P energy: -86.297 bonds (distance) P-C4' energy: -94.048 flat angles C4'-P-C4' energy: -91.208 flat angles P-C4'-P energy: -76.669 tors. eta vs tors. theta energy: -143.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1621.690759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.690759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.690759 (E_RNA) where: Base-Base interactions energy: -1105.846 where: short stacking energy: -458.909 Base-Backbone interact. energy: -1.681 local terms energy: -514.163108 where: bonds (distance) C4'-P energy: -93.354 bonds (distance) P-C4' energy: -92.430 flat angles C4'-P-C4' energy: -106.645 flat angles P-C4'-P energy: -68.442 tors. eta vs tors. theta energy: -153.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1511.063709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.063709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.063709 (E_RNA) where: Base-Base interactions energy: -1023.950 where: short stacking energy: -421.942 Base-Backbone interact. energy: -0.294 local terms energy: -486.819465 where: bonds (distance) C4'-P energy: -88.192 bonds (distance) P-C4' energy: -93.785 flat angles C4'-P-C4' energy: -98.775 flat angles P-C4'-P energy: -73.717 tors. eta vs tors. theta energy: -132.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1433.891225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.891225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.891225 (E_RNA) where: Base-Base interactions energy: -974.911 where: short stacking energy: -409.396 Base-Backbone interact. energy: -1.447 local terms energy: -457.532482 where: bonds (distance) C4'-P energy: -85.917 bonds (distance) P-C4' energy: -79.402 flat angles C4'-P-C4' energy: -99.812 flat angles P-C4'-P energy: -73.376 tors. eta vs tors. theta energy: -119.024 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: 1 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1316.529065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.529065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.529065 (E_RNA) where: Base-Base interactions energy: -896.979 where: short stacking energy: -370.047 Base-Backbone interact. energy: -1.633 local terms energy: -417.917735 where: bonds (distance) C4'-P energy: -79.559 bonds (distance) P-C4' energy: -96.433 flat angles C4'-P-C4' energy: -96.033 flat angles P-C4'-P energy: -53.730 tors. eta vs tors. theta energy: -92.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1191.547596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.547596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.547596 (E_RNA) where: Base-Base interactions energy: -788.198 where: short stacking energy: -321.762 Base-Backbone interact. energy: -0.713 local terms energy: -402.636712 where: bonds (distance) C4'-P energy: -76.105 bonds (distance) P-C4' energy: -82.327 flat angles C4'-P-C4' energy: -93.340 flat angles P-C4'-P energy: -56.177 tors. eta vs tors. theta energy: -94.687 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: 9 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -1116.307963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.307963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.307963 (E_RNA) where: Base-Base interactions energy: -758.061 where: short stacking energy: -327.579 Base-Backbone interact. energy: 0.810 local terms energy: -359.056896 where: bonds (distance) C4'-P energy: -78.717 bonds (distance) P-C4' energy: -69.853 flat angles C4'-P-C4' energy: -81.352 flat angles P-C4'-P energy: -41.205 tors. eta vs tors. theta energy: -87.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -771.890793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.890793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.890793 (E_RNA) where: Base-Base interactions energy: -490.485 where: short stacking energy: -239.038 Base-Backbone interact. energy: 5.858 local terms energy: -287.263031 where: bonds (distance) C4'-P energy: -63.526 bonds (distance) P-C4' energy: -49.786 flat angles C4'-P-C4' energy: -77.719 flat angles P-C4'-P energy: -51.146 tors. eta vs tors. theta energy: -45.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1864.081704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.081704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.081704 (E_RNA) where: Base-Base interactions energy: -1317.115 where: short stacking energy: -541.403 Base-Backbone interact. energy: -0.870 local terms energy: -546.097237 where: bonds (distance) C4'-P energy: -93.656 bonds (distance) P-C4' energy: -98.268 flat angles C4'-P-C4' energy: -115.019 flat angles P-C4'-P energy: -80.491 tors. eta vs tors. theta energy: -158.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1761.189789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.189789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.189789 (E_RNA) where: Base-Base interactions energy: -1268.422 where: short stacking energy: -521.265 Base-Backbone interact. energy: -1.133 local terms energy: -491.633919 where: bonds (distance) C4'-P energy: -70.355 bonds (distance) P-C4' energy: -91.795 flat angles C4'-P-C4' energy: -101.976 flat angles P-C4'-P energy: -74.000 tors. eta vs tors. theta energy: -153.508 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: 3 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1763.349298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.349298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.349298 (E_RNA) where: Base-Base interactions energy: -1231.731 where: short stacking energy: -497.989 Base-Backbone interact. energy: -1.398 local terms energy: -530.219592 where: bonds (distance) C4'-P energy: -96.968 bonds (distance) P-C4' energy: -95.569 flat angles C4'-P-C4' energy: -105.529 flat angles P-C4'-P energy: -78.969 tors. eta vs tors. theta energy: -153.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1635.534301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.534301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.534301 (E_RNA) where: Base-Base interactions energy: -1119.925 where: short stacking energy: -480.288 Base-Backbone interact. energy: -1.832 local terms energy: -513.777979 where: bonds (distance) C4'-P energy: -75.127 bonds (distance) P-C4' energy: -103.095 flat angles C4'-P-C4' energy: -108.920 flat angles P-C4'-P energy: -73.828 tors. eta vs tors. theta energy: -152.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -1542.710265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.710265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.710265 (E_RNA) where: Base-Base interactions energy: -1077.650 where: short stacking energy: -453.516 Base-Backbone interact. energy: -2.265 local terms energy: -462.795028 where: bonds (distance) C4'-P energy: -81.441 bonds (distance) P-C4' energy: -82.184 flat angles C4'-P-C4' energy: -98.916 flat angles P-C4'-P energy: -69.281 tors. eta vs tors. theta energy: -130.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1470.227321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.227321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.227321 (E_RNA) where: Base-Base interactions energy: -997.796 where: short stacking energy: -414.622 Base-Backbone interact. energy: -1.300 local terms energy: -471.131002 where: bonds (distance) C4'-P energy: -96.150 bonds (distance) P-C4' energy: -101.452 flat angles C4'-P-C4' energy: -94.183 flat angles P-C4'-P energy: -58.313 tors. eta vs tors. theta energy: -121.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1299.097669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.097669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.097669 (E_RNA) where: Base-Base interactions energy: -869.723 where: short stacking energy: -362.458 Base-Backbone interact. energy: -1.066 local terms energy: -428.309124 where: bonds (distance) C4'-P energy: -77.765 bonds (distance) P-C4' energy: -82.206 flat angles C4'-P-C4' energy: -98.510 flat angles P-C4'-P energy: -67.994 tors. eta vs tors. theta energy: -101.834 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: 6 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1228.729373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.729373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.729373 (E_RNA) where: Base-Base interactions energy: -821.150 where: short stacking energy: -368.145 Base-Backbone interact. energy: 0.849 local terms energy: -408.428001 where: bonds (distance) C4'-P energy: -84.263 bonds (distance) P-C4' energy: -90.352 flat angles C4'-P-C4' energy: -84.366 flat angles P-C4'-P energy: -53.159 tors. eta vs tors. theta energy: -96.287 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: 9 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -1121.144263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.144263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.144263 (E_RNA) where: Base-Base interactions energy: -754.320 where: short stacking energy: -328.054 Base-Backbone interact. energy: -1.339 local terms energy: -365.485511 where: bonds (distance) C4'-P energy: -75.173 bonds (distance) P-C4' energy: -71.444 flat angles C4'-P-C4' energy: -87.439 flat angles P-C4'-P energy: -55.933 tors. eta vs tors. theta energy: -75.497 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: 10 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -769.084221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.084221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.084221 (E_RNA) where: Base-Base interactions energy: -470.575 where: short stacking energy: -221.819 Base-Backbone interact. energy: -1.830 local terms energy: -296.680010 where: bonds (distance) C4'-P energy: -68.967 bonds (distance) P-C4' energy: -83.954 flat angles C4'-P-C4' energy: -78.026 flat angles P-C4'-P energy: -32.816 tors. eta vs tors. theta energy: -32.916 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: 2 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1877.828425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.828425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.828425 (E_RNA) where: Base-Base interactions energy: -1310.036 where: short stacking energy: -529.267 Base-Backbone interact. energy: -0.744 local terms energy: -567.048534 where: bonds (distance) C4'-P energy: -102.318 bonds (distance) P-C4' energy: -103.806 flat angles C4'-P-C4' energy: -112.523 flat angles P-C4'-P energy: -80.102 tors. eta vs tors. theta energy: -168.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1773.896802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.896802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.896802 (E_RNA) where: Base-Base interactions energy: -1243.110 where: short stacking energy: -499.061 Base-Backbone interact. energy: -0.561 local terms energy: -530.226513 where: bonds (distance) C4'-P energy: -90.241 bonds (distance) P-C4' energy: -104.736 flat angles C4'-P-C4' energy: -106.284 flat angles P-C4'-P energy: -77.779 tors. eta vs tors. theta energy: -151.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1766.263744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.263744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.263744 (E_RNA) where: Base-Base interactions energy: -1243.930 where: short stacking energy: -489.616 Base-Backbone interact. energy: -0.882 local terms energy: -521.452249 where: bonds (distance) C4'-P energy: -97.361 bonds (distance) P-C4' energy: -94.643 flat angles C4'-P-C4' energy: -110.197 flat angles P-C4'-P energy: -68.507 tors. eta vs tors. theta energy: -150.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1690.114870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.114870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.114870 (E_RNA) where: Base-Base interactions energy: -1149.632 where: short stacking energy: -472.629 Base-Backbone interact. energy: -1.389 local terms energy: -539.094047 where: bonds (distance) C4'-P energy: -98.173 bonds (distance) P-C4' energy: -88.390 flat angles C4'-P-C4' energy: -112.865 flat angles P-C4'-P energy: -71.922 tors. eta vs tors. theta energy: -167.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -1541.427987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.427987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.427987 (E_RNA) where: Base-Base interactions energy: -1077.941 where: short stacking energy: -430.277 Base-Backbone interact. energy: -1.678 local terms energy: -461.809072 where: bonds (distance) C4'-P energy: -85.839 bonds (distance) P-C4' energy: -85.540 flat angles C4'-P-C4' energy: -99.830 flat angles P-C4'-P energy: -66.709 tors. eta vs tors. theta energy: -123.891 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: 5 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1438.167745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.167745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.167745 (E_RNA) where: Base-Base interactions energy: -977.951 where: short stacking energy: -401.123 Base-Backbone interact. energy: -1.830 local terms energy: -458.387143 where: bonds (distance) C4'-P energy: -88.473 bonds (distance) P-C4' energy: -82.780 flat angles C4'-P-C4' energy: -107.931 flat angles P-C4'-P energy: -56.333 tors. eta vs tors. theta energy: -122.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1311.077017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.077017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.077017 (E_RNA) where: Base-Base interactions energy: -897.058 where: short stacking energy: -376.716 Base-Backbone interact. energy: -0.754 local terms energy: -413.264948 where: bonds (distance) C4'-P energy: -69.300 bonds (distance) P-C4' energy: -87.637 flat angles C4'-P-C4' energy: -88.134 flat angles P-C4'-P energy: -58.130 tors. eta vs tors. theta energy: -110.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1225.381107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.381107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.381107 (E_RNA) where: Base-Base interactions energy: -824.001 where: short stacking energy: -341.199 Base-Backbone interact. energy: -1.046 local terms energy: -400.333836 where: bonds (distance) C4'-P energy: -91.872 bonds (distance) P-C4' energy: -76.376 flat angles C4'-P-C4' energy: -89.585 flat angles P-C4'-P energy: -56.841 tors. eta vs tors. theta energy: -85.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1093.776025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.776025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.776025 (E_RNA) where: Base-Base interactions energy: -734.831 where: short stacking energy: -306.287 Base-Backbone interact. energy: -0.260 local terms energy: -358.684524 where: bonds (distance) C4'-P energy: -77.458 bonds (distance) P-C4' energy: -66.197 flat angles C4'-P-C4' energy: -94.179 flat angles P-C4'-P energy: -52.071 tors. eta vs tors. theta energy: -68.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -738.377752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.377752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.377752 (E_RNA) where: Base-Base interactions energy: -426.563 where: short stacking energy: -196.798 Base-Backbone interact. energy: 2.811 local terms energy: -314.625544 where: bonds (distance) C4'-P energy: -83.741 bonds (distance) P-C4' energy: -96.413 flat angles C4'-P-C4' energy: -72.211 flat angles P-C4'-P energy: -43.750 tors. eta vs tors. theta energy: -18.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1864.293213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.293213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.293213 (E_RNA) where: Base-Base interactions energy: -1314.174 where: short stacking energy: -547.638 Base-Backbone interact. energy: -0.202 local terms energy: -549.917435 where: bonds (distance) C4'-P energy: -106.558 bonds (distance) P-C4' energy: -86.524 flat angles C4'-P-C4' energy: -113.125 flat angles P-C4'-P energy: -75.673 tors. eta vs tors. theta energy: -168.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1794.478075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.478075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.478075 (E_RNA) where: Base-Base interactions energy: -1240.991 where: short stacking energy: -508.402 Base-Backbone interact. energy: -0.479 local terms energy: -553.008068 where: bonds (distance) C4'-P energy: -96.215 bonds (distance) P-C4' energy: -104.714 flat angles C4'-P-C4' energy: -113.620 flat angles P-C4'-P energy: -80.137 tors. eta vs tors. theta energy: -158.322 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: 8 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1719.521783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.521783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.521783 (E_RNA) where: Base-Base interactions energy: -1208.084 where: short stacking energy: -485.043 Base-Backbone interact. energy: -0.514 local terms energy: -510.924261 where: bonds (distance) C4'-P energy: -86.814 bonds (distance) P-C4' energy: -94.161 flat angles C4'-P-C4' energy: -114.898 flat angles P-C4'-P energy: -70.580 tors. eta vs tors. theta energy: -144.471 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: 4, replica: 7 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1676.639843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.639843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.639843 (E_RNA) where: Base-Base interactions energy: -1165.408 where: short stacking energy: -474.606 Base-Backbone interact. energy: -2.019 local terms energy: -509.213030 where: bonds (distance) C4'-P energy: -87.458 bonds (distance) P-C4' energy: -96.357 flat angles C4'-P-C4' energy: -106.649 flat angles P-C4'-P energy: -69.793 tors. eta vs tors. theta energy: -148.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1518.609159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.609159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.609159 (E_RNA) where: Base-Base interactions energy: -1051.376 where: short stacking energy: -420.461 Base-Backbone interact. energy: 2.651 local terms energy: -469.884528 where: bonds (distance) C4'-P energy: -91.472 bonds (distance) P-C4' energy: -88.721 flat angles C4'-P-C4' energy: -96.320 flat angles P-C4'-P energy: -65.937 tors. eta vs tors. theta energy: -127.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1443.936176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.936176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.936176 (E_RNA) where: Base-Base interactions energy: -1001.335 where: short stacking energy: -409.899 Base-Backbone interact. energy: -1.162 local terms energy: -441.439028 where: bonds (distance) C4'-P energy: -84.777 bonds (distance) P-C4' energy: -76.180 flat angles C4'-P-C4' energy: -97.682 flat angles P-C4'-P energy: -50.537 tors. eta vs tors. theta energy: -132.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1305.824330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.824330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.824330 (E_RNA) where: Base-Base interactions energy: -884.054 where: short stacking energy: -367.807 Base-Backbone interact. energy: 0.490 local terms energy: -422.260465 where: bonds (distance) C4'-P energy: -88.640 bonds (distance) P-C4' energy: -86.763 flat angles C4'-P-C4' energy: -97.848 flat angles P-C4'-P energy: -62.627 tors. eta vs tors. theta energy: -86.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1215.397869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.397869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.397869 (E_RNA) where: Base-Base interactions energy: -844.231 where: short stacking energy: -344.772 Base-Backbone interact. energy: -1.280 local terms energy: -369.886965 where: bonds (distance) C4'-P energy: -59.654 bonds (distance) P-C4' energy: -78.212 flat angles C4'-P-C4' energy: -85.311 flat angles P-C4'-P energy: -57.988 tors. eta vs tors. theta energy: -88.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -1103.310580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.310580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.310580 (E_RNA) where: Base-Base interactions energy: -725.046 where: short stacking energy: -289.832 Base-Backbone interact. energy: 0.118 local terms energy: -378.382798 where: bonds (distance) C4'-P energy: -75.300 bonds (distance) P-C4' energy: -81.086 flat angles C4'-P-C4' energy: -77.108 flat angles P-C4'-P energy: -64.287 tors. eta vs tors. theta energy: -80.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -726.231746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.231746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.231746 (E_RNA) where: Base-Base interactions energy: -427.988 where: short stacking energy: -211.424 Base-Backbone interact. energy: 3.448 local terms energy: -301.691638 where: bonds (distance) C4'-P energy: -86.698 bonds (distance) P-C4' energy: -93.353 flat angles C4'-P-C4' energy: -63.137 flat angles P-C4'-P energy: -30.807 tors. eta vs tors. theta energy: -27.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1873.523166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.523166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.523166 (E_RNA) where: Base-Base interactions energy: -1331.514 where: short stacking energy: -549.615 Base-Backbone interact. energy: -4.996 local terms energy: -537.013793 where: bonds (distance) C4'-P energy: -97.233 bonds (distance) P-C4' energy: -87.480 flat angles C4'-P-C4' energy: -113.336 flat angles P-C4'-P energy: -73.871 tors. eta vs tors. theta energy: -165.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1783.808100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.808100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.808100 (E_RNA) where: Base-Base interactions energy: -1272.758 where: short stacking energy: -521.719 Base-Backbone interact. energy: -0.127 local terms energy: -510.922392 where: bonds (distance) C4'-P energy: -95.748 bonds (distance) P-C4' energy: -90.418 flat angles C4'-P-C4' energy: -102.775 flat angles P-C4'-P energy: -72.749 tors. eta vs tors. theta energy: -149.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1702.369347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.369347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.369347 (E_RNA) where: Base-Base interactions energy: -1192.783 where: short stacking energy: -477.206 Base-Backbone interact. energy: -3.703 local terms energy: -505.883652 where: bonds (distance) C4'-P energy: -95.725 bonds (distance) P-C4' energy: -90.415 flat angles C4'-P-C4' energy: -119.687 flat angles P-C4'-P energy: -65.547 tors. eta vs tors. theta energy: -134.510 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: 7 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1712.651030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.651030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.651030 (E_RNA) where: Base-Base interactions energy: -1188.092 where: short stacking energy: -493.706 Base-Backbone interact. energy: -1.241 local terms energy: -523.317954 where: bonds (distance) C4'-P energy: -90.092 bonds (distance) P-C4' energy: -97.685 flat angles C4'-P-C4' energy: -103.705 flat angles P-C4'-P energy: -68.346 tors. eta vs tors. theta energy: -163.490 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: 4 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1538.097868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.097868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.097868 (E_RNA) where: Base-Base interactions energy: -1079.101 where: short stacking energy: -443.266 Base-Backbone interact. energy: -0.969 local terms energy: -458.027608 where: bonds (distance) C4'-P energy: -82.290 bonds (distance) P-C4' energy: -81.264 flat angles C4'-P-C4' energy: -110.146 flat angles P-C4'-P energy: -62.937 tors. eta vs tors. theta energy: -121.391 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: 5 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1390.456823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.456823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.456823 (E_RNA) where: Base-Base interactions energy: -954.948 where: short stacking energy: -383.284 Base-Backbone interact. energy: 1.909 local terms energy: -437.418169 where: bonds (distance) C4'-P energy: -73.987 bonds (distance) P-C4' energy: -90.128 flat angles C4'-P-C4' energy: -93.872 flat angles P-C4'-P energy: -60.067 tors. eta vs tors. theta energy: -119.365 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: 7, replica: 1 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1286.584288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.584288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.584288 (E_RNA) where: Base-Base interactions energy: -854.857 where: short stacking energy: -364.871 Base-Backbone interact. energy: -0.291 local terms energy: -431.436200 where: bonds (distance) C4'-P energy: -79.662 bonds (distance) P-C4' energy: -99.026 flat angles C4'-P-C4' energy: -96.729 flat angles P-C4'-P energy: -52.407 tors. eta vs tors. theta energy: -103.612 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: 6 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1242.523794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.523794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.523794 (E_RNA) where: Base-Base interactions energy: -842.758 where: short stacking energy: -371.812 Base-Backbone interact. energy: -0.685 local terms energy: -399.081365 where: bonds (distance) C4'-P energy: -76.709 bonds (distance) P-C4' energy: -83.012 flat angles C4'-P-C4' energy: -84.865 flat angles P-C4'-P energy: -56.093 tors. eta vs tors. theta energy: -98.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -1082.340881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.340881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.340881 (E_RNA) where: Base-Base interactions energy: -714.162 where: short stacking energy: -301.891 Base-Backbone interact. energy: -0.848 local terms energy: -367.331115 where: bonds (distance) C4'-P energy: -76.851 bonds (distance) P-C4' energy: -81.718 flat angles C4'-P-C4' energy: -82.756 flat angles P-C4'-P energy: -53.839 tors. eta vs tors. theta energy: -72.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -750.765039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.765039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.765039 (E_RNA) where: Base-Base interactions energy: -456.397 where: short stacking energy: -223.343 Base-Backbone interact. energy: 3.644 local terms energy: -298.012434 where: bonds (distance) C4'-P energy: -71.294 bonds (distance) P-C4' energy: -81.317 flat angles C4'-P-C4' energy: -66.881 flat angles P-C4'-P energy: -38.022 tors. eta vs tors. theta energy: -40.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1879.592048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.592048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.592048 (E_RNA) where: Base-Base interactions energy: -1330.727 where: short stacking energy: -538.698 Base-Backbone interact. energy: -3.339 local terms energy: -545.526019 where: bonds (distance) C4'-P energy: -100.850 bonds (distance) P-C4' energy: -97.887 flat angles C4'-P-C4' energy: -107.352 flat angles P-C4'-P energy: -75.767 tors. eta vs tors. theta energy: -163.670 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: 3 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1788.655511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.655511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.655511 (E_RNA) where: Base-Base interactions energy: -1262.790 where: short stacking energy: -493.232 Base-Backbone interact. energy: 2.856 local terms energy: -528.721256 where: bonds (distance) C4'-P energy: -97.305 bonds (distance) P-C4' energy: -97.711 flat angles C4'-P-C4' energy: -105.049 flat angles P-C4'-P energy: -80.340 tors. eta vs tors. theta energy: -148.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1709.412960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.412960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.412960 (E_RNA) where: Base-Base interactions energy: -1204.209 where: short stacking energy: -498.722 Base-Backbone interact. energy: -0.446 local terms energy: -504.758008 where: bonds (distance) C4'-P energy: -79.567 bonds (distance) P-C4' energy: -81.461 flat angles C4'-P-C4' energy: -112.135 flat angles P-C4'-P energy: -77.820 tors. eta vs tors. theta energy: -153.775 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: 269 Temperature: 1.050000 Total energy: -1692.022441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.022441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.022441 (E_RNA) where: Base-Base interactions energy: -1177.847 where: short stacking energy: -481.098 Base-Backbone interact. energy: -0.454 local terms energy: -513.721818 where: bonds (distance) C4'-P energy: -87.784 bonds (distance) P-C4' energy: -89.801 flat angles C4'-P-C4' energy: -107.733 flat angles P-C4'-P energy: -74.253 tors. eta vs tors. theta energy: -154.151 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: 4 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1559.776136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.776136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.776136 (E_RNA) where: Base-Base interactions energy: -1068.247 where: short stacking energy: -444.165 Base-Backbone interact. energy: 3.541 local terms energy: -495.070045 where: bonds (distance) C4'-P energy: -83.885 bonds (distance) P-C4' energy: -98.673 flat angles C4'-P-C4' energy: -111.085 flat angles P-C4'-P energy: -64.757 tors. eta vs tors. theta energy: -136.671 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: 6, replica: 5 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1402.637411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.637411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.637411 (E_RNA) where: Base-Base interactions energy: -956.461 where: short stacking energy: -391.215 Base-Backbone interact. energy: -1.430 local terms energy: -444.746658 where: bonds (distance) C4'-P energy: -80.001 bonds (distance) P-C4' energy: -97.687 flat angles C4'-P-C4' energy: -94.826 flat angles P-C4'-P energy: -68.569 tors. eta vs tors. theta energy: -103.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1294.046008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.046008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.046008 (E_RNA) where: Base-Base interactions energy: -874.278 where: short stacking energy: -360.065 Base-Backbone interact. energy: 0.305 local terms energy: -420.072674 where: bonds (distance) C4'-P energy: -72.099 bonds (distance) P-C4' energy: -93.582 flat angles C4'-P-C4' energy: -93.587 flat angles P-C4'-P energy: -54.201 tors. eta vs tors. theta energy: -106.603 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: 6 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1239.703384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.703384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.703384 (E_RNA) where: Base-Base interactions energy: -852.277 where: short stacking energy: -363.007 Base-Backbone interact. energy: -0.355 local terms energy: -387.071130 where: bonds (distance) C4'-P energy: -75.524 bonds (distance) P-C4' energy: -63.883 flat angles C4'-P-C4' energy: -82.839 flat angles P-C4'-P energy: -68.748 tors. eta vs tors. theta energy: -96.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1104.094128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.094128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.094128 (E_RNA) where: Base-Base interactions energy: -729.579 where: short stacking energy: -310.762 Base-Backbone interact. energy: -1.809 local terms energy: -372.705693 where: bonds (distance) C4'-P energy: -71.688 bonds (distance) P-C4' energy: -88.110 flat angles C4'-P-C4' energy: -88.023 flat angles P-C4'-P energy: -50.991 tors. eta vs tors. theta energy: -73.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -765.857322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.857322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.857322 (E_RNA) where: Base-Base interactions energy: -461.571 where: short stacking energy: -220.547 Base-Backbone interact. energy: -0.611 local terms energy: -303.675220 where: bonds (distance) C4'-P energy: -58.441 bonds (distance) P-C4' energy: -83.963 flat angles C4'-P-C4' energy: -78.596 flat angles P-C4'-P energy: -51.824 tors. eta vs tors. theta energy: -30.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1838.053562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.053562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.053562 (E_RNA) where: Base-Base interactions energy: -1290.611 where: short stacking energy: -524.715 Base-Backbone interact. energy: 0.822 local terms energy: -548.264508 where: bonds (distance) C4'-P energy: -86.802 bonds (distance) P-C4' energy: -108.620 flat angles C4'-P-C4' energy: -115.878 flat angles P-C4'-P energy: -83.526 tors. eta vs tors. theta energy: -153.440 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: 2 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1856.594636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.594636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.594636 (E_RNA) where: Base-Base interactions energy: -1319.988 where: short stacking energy: -544.120 Base-Backbone interact. energy: -4.382 local terms energy: -532.224586 where: bonds (distance) C4'-P energy: -95.152 bonds (distance) P-C4' energy: -92.494 flat angles C4'-P-C4' energy: -104.520 flat angles P-C4'-P energy: -73.834 tors. eta vs tors. theta energy: -166.224 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: 7 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1728.829303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.829303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.829303 (E_RNA) where: Base-Base interactions energy: -1201.535 where: short stacking energy: -508.189 Base-Backbone interact. energy: -1.471 local terms energy: -525.822815 where: bonds (distance) C4'-P energy: -93.920 bonds (distance) P-C4' energy: -94.638 flat angles C4'-P-C4' energy: -104.541 flat angles P-C4'-P energy: -71.329 tors. eta vs tors. theta energy: -161.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1699.900870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.900870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.900870 (E_RNA) where: Base-Base interactions energy: -1203.772 where: short stacking energy: -483.343 Base-Backbone interact. energy: -1.350 local terms energy: -494.778922 where: bonds (distance) C4'-P energy: -97.419 bonds (distance) P-C4' energy: -86.789 flat angles C4'-P-C4' energy: -106.258 flat angles P-C4'-P energy: -60.082 tors. eta vs tors. theta energy: -144.231 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: 270 Temperature: 1.100000 Total energy: -1559.418115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.418115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.418115 (E_RNA) where: Base-Base interactions energy: -1082.579 where: short stacking energy: -439.626 Base-Backbone interact. energy: 0.583 local terms energy: -477.422913 where: bonds (distance) C4'-P energy: -80.199 bonds (distance) P-C4' energy: -91.233 flat angles C4'-P-C4' energy: -97.749 flat angles P-C4'-P energy: -71.424 tors. eta vs tors. theta energy: -136.818 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: 5 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1393.147603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.147603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.147603 (E_RNA) where: Base-Base interactions energy: -954.181 where: short stacking energy: -393.732 Base-Backbone interact. energy: 3.680 local terms energy: -442.647025 where: bonds (distance) C4'-P energy: -74.242 bonds (distance) P-C4' energy: -100.296 flat angles C4'-P-C4' energy: -93.021 flat angles P-C4'-P energy: -72.555 tors. eta vs tors. theta energy: -102.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1337.669644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.669644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.669644 (E_RNA) where: Base-Base interactions energy: -895.542 where: short stacking energy: -376.931 Base-Backbone interact. energy: 0.912 local terms energy: -443.039443 where: bonds (distance) C4'-P energy: -94.724 bonds (distance) P-C4' energy: -77.634 flat angles C4'-P-C4' energy: -94.157 flat angles P-C4'-P energy: -62.369 tors. eta vs tors. theta energy: -114.156 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: 8, replica: 6 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1231.986331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.986331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.986331 (E_RNA) where: Base-Base interactions energy: -853.540 where: short stacking energy: -352.794 Base-Backbone interact. energy: 1.161 local terms energy: -379.607933 where: bonds (distance) C4'-P energy: -77.957 bonds (distance) P-C4' energy: -72.473 flat angles C4'-P-C4' energy: -87.680 flat angles P-C4'-P energy: -51.026 tors. eta vs tors. theta energy: -90.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -1083.288588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.288588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.288588 (E_RNA) where: Base-Base interactions energy: -735.672 where: short stacking energy: -311.554 Base-Backbone interact. energy: 2.733 local terms energy: -350.349455 where: bonds (distance) C4'-P energy: -66.495 bonds (distance) P-C4' energy: -69.291 flat angles C4'-P-C4' energy: -85.105 flat angles P-C4'-P energy: -63.954 tors. eta vs tors. theta energy: -65.505 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: 270 Temperature: 1.350000 Total energy: -837.774006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.774006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.774006 (E_RNA) where: Base-Base interactions energy: -506.351 where: short stacking energy: -233.919 Base-Backbone interact. energy: -1.192 local terms energy: -330.230844 where: bonds (distance) C4'-P energy: -80.175 bonds (distance) P-C4' energy: -81.920 flat angles C4'-P-C4' energy: -88.630 flat angles P-C4'-P energy: -47.695 tors. eta vs tors. theta energy: -31.811 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: 3 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1812.465731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.465731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.465731 (E_RNA) where: Base-Base interactions energy: -1277.266 where: short stacking energy: -510.820 Base-Backbone interact. energy: 0.149 local terms energy: -535.348398 where: bonds (distance) C4'-P energy: -98.640 bonds (distance) P-C4' energy: -96.132 flat angles C4'-P-C4' energy: -102.188 flat angles P-C4'-P energy: -82.132 tors. eta vs tors. theta energy: -156.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1833.017419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.017419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.017419 (E_RNA) where: Base-Base interactions energy: -1288.623 where: short stacking energy: -519.905 Base-Backbone interact. energy: -2.411 local terms energy: -541.982818 where: bonds (distance) C4'-P energy: -89.056 bonds (distance) P-C4' energy: -101.991 flat angles C4'-P-C4' energy: -102.318 flat angles P-C4'-P energy: -85.434 tors. eta vs tors. theta energy: -163.184 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: 7 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1746.030608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.030608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.030608 (E_RNA) where: Base-Base interactions energy: -1214.656 where: short stacking energy: -495.373 Base-Backbone interact. energy: -1.697 local terms energy: -529.678061 where: bonds (distance) C4'-P energy: -97.553 bonds (distance) P-C4' energy: -94.443 flat angles C4'-P-C4' energy: -96.074 flat angles P-C4'-P energy: -73.913 tors. eta vs tors. theta energy: -167.696 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: 8 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1687.862273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.862273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.862273 (E_RNA) where: Base-Base interactions energy: -1179.333 where: short stacking energy: -466.665 Base-Backbone interact. energy: -0.709 local terms energy: -507.820004 where: bonds (distance) C4'-P energy: -81.380 bonds (distance) P-C4' energy: -89.787 flat angles C4'-P-C4' energy: -107.607 flat angles P-C4'-P energy: -76.003 tors. eta vs tors. theta energy: -153.043 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: 4 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1547.661181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.661181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.661181 (E_RNA) where: Base-Base interactions energy: -1061.513 where: short stacking energy: -441.351 Base-Backbone interact. energy: 0.381 local terms energy: -486.528934 where: bonds (distance) C4'-P energy: -99.773 bonds (distance) P-C4' energy: -89.707 flat angles C4'-P-C4' energy: -99.074 flat angles P-C4'-P energy: -62.721 tors. eta vs tors. theta energy: -135.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1412.928565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.928565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.928565 (E_RNA) where: Base-Base interactions energy: -952.600 where: short stacking energy: -402.333 Base-Backbone interact. energy: -0.543 local terms energy: -459.784721 where: bonds (distance) C4'-P energy: -84.165 bonds (distance) P-C4' energy: -90.137 flat angles C4'-P-C4' energy: -97.677 flat angles P-C4'-P energy: -69.885 tors. eta vs tors. theta energy: -117.921 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: 1 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1302.761977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.761977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.761977 (E_RNA) where: Base-Base interactions energy: -888.478 where: short stacking energy: -369.636 Base-Backbone interact. energy: -0.193 local terms energy: -414.090250 where: bonds (distance) C4'-P energy: -83.253 bonds (distance) P-C4' energy: -83.818 flat angles C4'-P-C4' energy: -97.541 flat angles P-C4'-P energy: -55.666 tors. eta vs tors. theta energy: -93.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1218.179793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.179793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.179793 (E_RNA) where: Base-Base interactions energy: -837.122 where: short stacking energy: -345.322 Base-Backbone interact. energy: -0.224 local terms energy: -380.832941 where: bonds (distance) C4'-P energy: -71.485 bonds (distance) P-C4' energy: -82.676 flat angles C4'-P-C4' energy: -91.192 flat angles P-C4'-P energy: -50.263 tors. eta vs tors. theta energy: -85.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1068.624925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.624925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.624925 (E_RNA) where: Base-Base interactions energy: -722.684 where: short stacking energy: -321.223 Base-Backbone interact. energy: -1.036 local terms energy: -344.904473 where: bonds (distance) C4'-P energy: -67.737 bonds (distance) P-C4' energy: -81.975 flat angles C4'-P-C4' energy: -79.788 flat angles P-C4'-P energy: -48.546 tors. eta vs tors. theta energy: -66.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -796.964477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.964477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.964477 (E_RNA) where: Base-Base interactions energy: -470.019 where: short stacking energy: -213.843 Base-Backbone interact. energy: -0.733 local terms energy: -326.212898 where: bonds (distance) C4'-P energy: -70.223 bonds (distance) P-C4' energy: -83.824 flat angles C4'-P-C4' energy: -79.545 flat angles P-C4'-P energy: -56.639 tors. eta vs tors. theta energy: -35.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1871.391305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.391305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.391305 (E_RNA) where: Base-Base interactions energy: -1316.570 where: short stacking energy: -519.142 Base-Backbone interact. energy: -2.385 local terms energy: -552.436521 where: bonds (distance) C4'-P energy: -98.720 bonds (distance) P-C4' energy: -99.126 flat angles C4'-P-C4' energy: -115.554 flat angles P-C4'-P energy: -82.136 tors. eta vs tors. theta energy: -156.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1799.235506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.235506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.235506 (E_RNA) where: Base-Base interactions energy: -1273.885 where: short stacking energy: -505.959 Base-Backbone interact. energy: 1.871 local terms energy: -527.221807 where: bonds (distance) C4'-P energy: -90.560 bonds (distance) P-C4' energy: -103.122 flat angles C4'-P-C4' energy: -111.099 flat angles P-C4'-P energy: -71.386 tors. eta vs tors. theta energy: -151.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1713.046218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.046218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.046218 (E_RNA) where: Base-Base interactions energy: -1198.201 where: short stacking energy: -489.129 Base-Backbone interact. energy: -1.943 local terms energy: -512.902151 where: bonds (distance) C4'-P energy: -86.237 bonds (distance) P-C4' energy: -88.546 flat angles C4'-P-C4' energy: -106.058 flat angles P-C4'-P energy: -78.697 tors. eta vs tors. theta energy: -153.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1696.407024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.407024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.407024 (E_RNA) where: Base-Base interactions energy: -1202.066 where: short stacking energy: -483.883 Base-Backbone interact. energy: 1.972 local terms energy: -496.313864 where: bonds (distance) C4'-P energy: -72.523 bonds (distance) P-C4' energy: -104.314 flat angles C4'-P-C4' energy: -99.684 flat angles P-C4'-P energy: -71.356 tors. eta vs tors. theta energy: -148.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1556.044229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.044229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.044229 (E_RNA) where: Base-Base interactions energy: -1091.508 where: short stacking energy: -448.549 Base-Backbone interact. energy: -1.920 local terms energy: -462.616442 where: bonds (distance) C4'-P energy: -89.385 bonds (distance) P-C4' energy: -73.980 flat angles C4'-P-C4' energy: -96.709 flat angles P-C4'-P energy: -57.918 tors. eta vs tors. theta energy: -144.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1443.753112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.753112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.753112 (E_RNA) where: Base-Base interactions energy: -967.474 where: short stacking energy: -401.695 Base-Backbone interact. energy: 0.081 local terms energy: -476.360356 where: bonds (distance) C4'-P energy: -88.480 bonds (distance) P-C4' energy: -105.253 flat angles C4'-P-C4' energy: -100.156 flat angles P-C4'-P energy: -55.989 tors. eta vs tors. theta energy: -126.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1355.599753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.599753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.599753 (E_RNA) where: Base-Base interactions energy: -944.374 where: short stacking energy: -390.496 Base-Backbone interact. energy: 1.083 local terms energy: -412.309061 where: bonds (distance) C4'-P energy: -74.446 bonds (distance) P-C4' energy: -86.232 flat angles C4'-P-C4' energy: -92.659 flat angles P-C4'-P energy: -55.800 tors. eta vs tors. theta energy: -103.171 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: 8, replica: 6 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1237.106726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.106726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.106726 (E_RNA) where: Base-Base interactions energy: -853.844 where: short stacking energy: -339.768 Base-Backbone interact. energy: -0.518 local terms energy: -382.745075 where: bonds (distance) C4'-P energy: -66.421 bonds (distance) P-C4' energy: -88.686 flat angles C4'-P-C4' energy: -71.749 flat angles P-C4'-P energy: -66.557 tors. eta vs tors. theta energy: -89.332 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: 9 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -1088.183418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.183418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.183418 (E_RNA) where: Base-Base interactions energy: -706.944 where: short stacking energy: -300.664 Base-Backbone interact. energy: -2.246 local terms energy: -378.993534 where: bonds (distance) C4'-P energy: -86.739 bonds (distance) P-C4' energy: -71.224 flat angles C4'-P-C4' energy: -88.651 flat angles P-C4'-P energy: -56.700 tors. eta vs tors. theta energy: -75.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -858.203694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.203694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.203694 (E_RNA) where: Base-Base interactions energy: -508.605 where: short stacking energy: -244.287 Base-Backbone interact. energy: 3.416 local terms energy: -353.014877 where: bonds (distance) C4'-P energy: -86.395 bonds (distance) P-C4' energy: -78.340 flat angles C4'-P-C4' energy: -78.440 flat angles P-C4'-P energy: -44.722 tors. eta vs tors. theta energy: -65.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1869.155309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.155309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.155309 (E_RNA) where: Base-Base interactions energy: -1315.615 where: short stacking energy: -519.856 Base-Backbone interact. energy: -2.008 local terms energy: -551.532631 where: bonds (distance) C4'-P energy: -100.239 bonds (distance) P-C4' energy: -99.650 flat angles C4'-P-C4' energy: -109.766 flat angles P-C4'-P energy: -84.544 tors. eta vs tors. theta energy: -157.334 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: 2, replica: 3 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1768.117297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.117297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.117297 (E_RNA) where: Base-Base interactions energy: -1248.068 where: short stacking energy: -506.140 Base-Backbone interact. energy: -1.638 local terms energy: -518.410997 where: bonds (distance) C4'-P energy: -93.743 bonds (distance) P-C4' energy: -96.532 flat angles C4'-P-C4' energy: -109.147 flat angles P-C4'-P energy: -71.019 tors. eta vs tors. theta energy: -147.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1731.082068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.082068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.082068 (E_RNA) where: Base-Base interactions energy: -1213.133 where: short stacking energy: -494.808 Base-Backbone interact. energy: -1.346 local terms energy: -516.603537 where: bonds (distance) C4'-P energy: -86.623 bonds (distance) P-C4' energy: -89.773 flat angles C4'-P-C4' energy: -97.357 flat angles P-C4'-P energy: -77.344 tors. eta vs tors. theta energy: -165.506 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: 8 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1669.942432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.942432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.942432 (E_RNA) where: Base-Base interactions energy: -1174.408 where: short stacking energy: -480.644 Base-Backbone interact. energy: -0.468 local terms energy: -495.066522 where: bonds (distance) C4'-P energy: -87.915 bonds (distance) P-C4' energy: -85.278 flat angles C4'-P-C4' energy: -111.003 flat angles P-C4'-P energy: -64.807 tors. eta vs tors. theta energy: -146.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1549.594833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.594833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.594833 (E_RNA) where: Base-Base interactions energy: -1073.339 where: short stacking energy: -447.019 Base-Backbone interact. energy: 0.358 local terms energy: -476.613052 where: bonds (distance) C4'-P energy: -87.587 bonds (distance) P-C4' energy: -91.135 flat angles C4'-P-C4' energy: -92.843 flat angles P-C4'-P energy: -68.542 tors. eta vs tors. theta energy: -136.506 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: 273 Temperature: 1.150000 Total energy: -1433.188638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.188638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.188638 (E_RNA) where: Base-Base interactions energy: -995.038 where: short stacking energy: -427.080 Base-Backbone interact. energy: 0.700 local terms energy: -438.850118 where: bonds (distance) C4'-P energy: -82.186 bonds (distance) P-C4' energy: -72.152 flat angles C4'-P-C4' energy: -93.927 flat angles P-C4'-P energy: -71.902 tors. eta vs tors. theta energy: -118.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1362.499434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.499434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.499434 (E_RNA) where: Base-Base interactions energy: -932.914 where: short stacking energy: -367.426 Base-Backbone interact. energy: -0.425 local terms energy: -429.160061 where: bonds (distance) C4'-P energy: -87.292 bonds (distance) P-C4' energy: -81.821 flat angles C4'-P-C4' energy: -91.511 flat angles P-C4'-P energy: -63.384 tors. eta vs tors. theta energy: -105.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1219.150850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.150850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.150850 (E_RNA) where: Base-Base interactions energy: -831.538 where: short stacking energy: -346.107 Base-Backbone interact. energy: -1.506 local terms energy: -386.106428 where: bonds (distance) C4'-P energy: -75.179 bonds (distance) P-C4' energy: -83.965 flat angles C4'-P-C4' energy: -83.731 flat angles P-C4'-P energy: -53.709 tors. eta vs tors. theta energy: -89.523 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: 9, replica: 9 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1087.502449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.502449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.502449 (E_RNA) where: Base-Base interactions energy: -717.198 where: short stacking energy: -309.225 Base-Backbone interact. energy: -1.566 local terms energy: -368.737551 where: bonds (distance) C4'-P energy: -74.074 bonds (distance) P-C4' energy: -75.364 flat angles C4'-P-C4' energy: -83.322 flat angles P-C4'-P energy: -58.979 tors. eta vs tors. theta energy: -76.999 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: 10, replica: 10 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -794.966723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.966723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.966723 (E_RNA) where: Base-Base interactions energy: -504.112 where: short stacking energy: -238.018 Base-Backbone interact. energy: -0.256 local terms energy: -290.598824 where: bonds (distance) C4'-P energy: -62.472 bonds (distance) P-C4' energy: -70.434 flat angles C4'-P-C4' energy: -65.527 flat angles P-C4'-P energy: -56.707 tors. eta vs tors. theta energy: -35.460 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: 2 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1862.933680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.933680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.933680 (E_RNA) where: Base-Base interactions energy: -1306.754 where: short stacking energy: -521.027 Base-Backbone interact. energy: 0.025 local terms energy: -556.205149 where: bonds (distance) C4'-P energy: -102.664 bonds (distance) P-C4' energy: -98.688 flat angles C4'-P-C4' energy: -106.408 flat angles P-C4'-P energy: -85.832 tors. eta vs tors. theta energy: -162.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1762.589421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.589421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.589421 (E_RNA) where: Base-Base interactions energy: -1244.283 where: short stacking energy: -498.956 Base-Backbone interact. energy: 1.919 local terms energy: -520.225556 where: bonds (distance) C4'-P energy: -99.450 bonds (distance) P-C4' energy: -89.879 flat angles C4'-P-C4' energy: -108.272 flat angles P-C4'-P energy: -71.716 tors. eta vs tors. theta energy: -150.909 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: 3, replica: 7 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1705.233414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.233414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.233414 (E_RNA) where: Base-Base interactions energy: -1183.796 where: short stacking energy: -485.401 Base-Backbone interact. energy: 0.075 local terms energy: -521.512391 where: bonds (distance) C4'-P energy: -83.166 bonds (distance) P-C4' energy: -94.033 flat angles C4'-P-C4' energy: -111.027 flat angles P-C4'-P energy: -74.637 tors. eta vs tors. theta energy: -158.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1692.218444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.218444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.218444 (E_RNA) where: Base-Base interactions energy: -1198.149 where: short stacking energy: -488.259 Base-Backbone interact. energy: 0.698 local terms energy: -494.767682 where: bonds (distance) C4'-P energy: -91.294 bonds (distance) P-C4' energy: -86.607 flat angles C4'-P-C4' energy: -100.804 flat angles P-C4'-P energy: -68.367 tors. eta vs tors. theta energy: -147.695 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: 4 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1530.761624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.761624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.761624 (E_RNA) where: Base-Base interactions energy: -1066.906 where: short stacking energy: -442.991 Base-Backbone interact. energy: 2.270 local terms energy: -466.125991 where: bonds (distance) C4'-P energy: -79.915 bonds (distance) P-C4' energy: -74.227 flat angles C4'-P-C4' energy: -110.239 flat angles P-C4'-P energy: -70.265 tors. eta vs tors. theta energy: -131.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1414.501388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.501388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.501388 (E_RNA) where: Base-Base interactions energy: -968.655 where: short stacking energy: -397.038 Base-Backbone interact. energy: -0.626 local terms energy: -445.220122 where: bonds (distance) C4'-P energy: -79.319 bonds (distance) P-C4' energy: -85.718 flat angles C4'-P-C4' energy: -101.418 flat angles P-C4'-P energy: -52.534 tors. eta vs tors. theta energy: -126.232 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: 1 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1329.013309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.013309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.013309 (E_RNA) where: Base-Base interactions energy: -882.749 where: short stacking energy: -348.257 Base-Backbone interact. energy: -0.945 local terms energy: -445.318878 where: bonds (distance) C4'-P energy: -88.405 bonds (distance) P-C4' energy: -88.407 flat angles C4'-P-C4' energy: -99.266 flat angles P-C4'-P energy: -62.736 tors. eta vs tors. theta energy: -106.503 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: 6 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1252.689384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.689384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.689384 (E_RNA) where: Base-Base interactions energy: -851.852 where: short stacking energy: -357.127 Base-Backbone interact. energy: 1.790 local terms energy: -402.627574 where: bonds (distance) C4'-P energy: -89.734 bonds (distance) P-C4' energy: -84.534 flat angles C4'-P-C4' energy: -81.785 flat angles P-C4'-P energy: -55.232 tors. eta vs tors. theta energy: -91.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1096.079900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.079900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.079900 (E_RNA) where: Base-Base interactions energy: -728.133 where: short stacking energy: -305.109 Base-Backbone interact. energy: 6.319 local terms energy: -374.265937 where: bonds (distance) C4'-P energy: -76.809 bonds (distance) P-C4' energy: -75.969 flat angles C4'-P-C4' energy: -94.251 flat angles P-C4'-P energy: -50.079 tors. eta vs tors. theta energy: -77.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -817.217590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.217590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.217590 (E_RNA) where: Base-Base interactions energy: -496.193 where: short stacking energy: -239.040 Base-Backbone interact. energy: -0.111 local terms energy: -320.913360 where: bonds (distance) C4'-P energy: -75.089 bonds (distance) P-C4' energy: -76.000 flat angles C4'-P-C4' energy: -72.283 flat angles P-C4'-P energy: -55.793 tors. eta vs tors. theta energy: -41.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1876.157034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.157034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.157034 (E_RNA) where: Base-Base interactions energy: -1314.231 where: short stacking energy: -530.110 Base-Backbone interact. energy: -1.229 local terms energy: -560.697064 where: bonds (distance) C4'-P energy: -92.763 bonds (distance) P-C4' energy: -95.304 flat angles C4'-P-C4' energy: -119.588 flat angles P-C4'-P energy: -86.784 tors. eta vs tors. theta energy: -166.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1773.942137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.942137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.942137 (E_RNA) where: Base-Base interactions energy: -1243.869 where: short stacking energy: -517.182 Base-Backbone interact. energy: -0.470 local terms energy: -529.603555 where: bonds (distance) C4'-P energy: -100.303 bonds (distance) P-C4' energy: -87.645 flat angles C4'-P-C4' energy: -110.263 flat angles P-C4'-P energy: -75.782 tors. eta vs tors. theta energy: -155.612 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: 7 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1725.199581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.199581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.199581 (E_RNA) where: Base-Base interactions energy: -1191.014 where: short stacking energy: -494.669 Base-Backbone interact. energy: -1.073 local terms energy: -533.112164 where: bonds (distance) C4'-P energy: -104.095 bonds (distance) P-C4' energy: -89.845 flat angles C4'-P-C4' energy: -113.541 flat angles P-C4'-P energy: -61.307 tors. eta vs tors. theta energy: -164.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1680.528384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.528384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.528384 (E_RNA) where: Base-Base interactions energy: -1183.404 where: short stacking energy: -475.669 Base-Backbone interact. energy: -0.648 local terms energy: -496.476813 where: bonds (distance) C4'-P energy: -92.050 bonds (distance) P-C4' energy: -87.779 flat angles C4'-P-C4' energy: -105.594 flat angles P-C4'-P energy: -68.852 tors. eta vs tors. theta energy: -142.202 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: 5, replica: 4 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1541.463530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.463530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.463530 (E_RNA) where: Base-Base interactions energy: -1065.991 where: short stacking energy: -427.748 Base-Backbone interact. energy: 1.048 local terms energy: -476.520303 where: bonds (distance) C4'-P energy: -89.022 bonds (distance) P-C4' energy: -80.810 flat angles C4'-P-C4' energy: -93.501 flat angles P-C4'-P energy: -77.776 tors. eta vs tors. theta energy: -135.412 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: 6, replica: 1 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1401.007449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.007449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.007449 (E_RNA) where: Base-Base interactions energy: -946.904 where: short stacking energy: -394.104 Base-Backbone interact. energy: 1.185 local terms energy: -455.288464 where: bonds (distance) C4'-P energy: -93.278 bonds (distance) P-C4' energy: -84.463 flat angles C4'-P-C4' energy: -100.902 flat angles P-C4'-P energy: -74.197 tors. eta vs tors. theta energy: -102.449 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: 7, replica: 5 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1361.883557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.883557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.883557 (E_RNA) where: Base-Base interactions energy: -942.208 where: short stacking energy: -398.326 Base-Backbone interact. energy: -1.475 local terms energy: -418.200870 where: bonds (distance) C4'-P energy: -77.791 bonds (distance) P-C4' energy: -80.366 flat angles C4'-P-C4' energy: -89.350 flat angles P-C4'-P energy: -57.459 tors. eta vs tors. theta energy: -113.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1209.230671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.230671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.230671 (E_RNA) where: Base-Base interactions energy: -799.086 where: short stacking energy: -341.616 Base-Backbone interact. energy: -1.787 local terms energy: -408.358027 where: bonds (distance) C4'-P energy: -69.555 bonds (distance) P-C4' energy: -82.602 flat angles C4'-P-C4' energy: -99.856 flat angles P-C4'-P energy: -56.525 tors. eta vs tors. theta energy: -99.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -1114.109882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.109882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.109882 (E_RNA) where: Base-Base interactions energy: -759.720 where: short stacking energy: -336.309 Base-Backbone interact. energy: 2.172 local terms energy: -356.562239 where: bonds (distance) C4'-P energy: -71.606 bonds (distance) P-C4' energy: -62.306 flat angles C4'-P-C4' energy: -82.331 flat angles P-C4'-P energy: -62.155 tors. eta vs tors. theta energy: -78.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -771.340709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.340709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.340709 (E_RNA) where: Base-Base interactions energy: -452.710 where: short stacking energy: -193.808 Base-Backbone interact. energy: 2.353 local terms energy: -320.983211 where: bonds (distance) C4'-P energy: -98.609 bonds (distance) P-C4' energy: -83.892 flat angles C4'-P-C4' energy: -64.945 flat angles P-C4'-P energy: -43.976 tors. eta vs tors. theta energy: -29.561 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: 1, replica: 2 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1881.960086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.960086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.960086 (E_RNA) where: Base-Base interactions energy: -1308.305 where: short stacking energy: -535.358 Base-Backbone interact. energy: -0.216 local terms energy: -573.438654 where: bonds (distance) C4'-P energy: -108.020 bonds (distance) P-C4' energy: -97.518 flat angles C4'-P-C4' energy: -115.701 flat angles P-C4'-P energy: -88.746 tors. eta vs tors. theta energy: -163.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1790.810429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.810429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.810429 (E_RNA) where: Base-Base interactions energy: -1274.647 where: short stacking energy: -516.067 Base-Backbone interact. energy: 2.783 local terms energy: -518.946154 where: bonds (distance) C4'-P energy: -81.901 bonds (distance) P-C4' energy: -93.476 flat angles C4'-P-C4' energy: -111.297 flat angles P-C4'-P energy: -82.468 tors. eta vs tors. theta energy: -149.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1731.156320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.156320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.156320 (E_RNA) where: Base-Base interactions energy: -1203.571 where: short stacking energy: -508.652 Base-Backbone interact. energy: -1.154 local terms energy: -526.431742 where: bonds (distance) C4'-P energy: -94.884 bonds (distance) P-C4' energy: -94.236 flat angles C4'-P-C4' energy: -106.143 flat angles P-C4'-P energy: -72.289 tors. eta vs tors. theta energy: -158.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1686.687673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.687673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.687673 (E_RNA) where: Base-Base interactions energy: -1182.666 where: short stacking energy: -464.636 Base-Backbone interact. energy: -1.244 local terms energy: -502.777203 where: bonds (distance) C4'-P energy: -85.580 bonds (distance) P-C4' energy: -94.422 flat angles C4'-P-C4' energy: -101.549 flat angles P-C4'-P energy: -76.375 tors. eta vs tors. theta energy: -144.851 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: 4 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1564.866786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.866786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.866786 (E_RNA) where: Base-Base interactions energy: -1075.146 where: short stacking energy: -448.468 Base-Backbone interact. energy: -0.761 local terms energy: -488.959510 where: bonds (distance) C4'-P energy: -83.971 bonds (distance) P-C4' energy: -98.488 flat angles C4'-P-C4' energy: -102.416 flat angles P-C4'-P energy: -66.088 tors. eta vs tors. theta energy: -137.997 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: 1 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1402.286816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.286816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.286816 (E_RNA) where: Base-Base interactions energy: -942.513 where: short stacking energy: -392.457 Base-Backbone interact. energy: -1.193 local terms energy: -458.580615 where: bonds (distance) C4'-P energy: -98.946 bonds (distance) P-C4' energy: -77.087 flat angles C4'-P-C4' energy: -95.925 flat angles P-C4'-P energy: -68.358 tors. eta vs tors. theta energy: -118.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1374.242044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.242044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.242044 (E_RNA) where: Base-Base interactions energy: -941.500 where: short stacking energy: -410.105 Base-Backbone interact. energy: -0.567 local terms energy: -432.175137 where: bonds (distance) C4'-P energy: -79.345 bonds (distance) P-C4' energy: -72.649 flat angles C4'-P-C4' energy: -91.968 flat angles P-C4'-P energy: -67.699 tors. eta vs tors. theta energy: -120.514 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: 6 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1228.137459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.137459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.137459 (E_RNA) where: Base-Base interactions energy: -825.666 where: short stacking energy: -320.665 Base-Backbone interact. energy: -3.010 local terms energy: -399.461516 where: bonds (distance) C4'-P energy: -85.474 bonds (distance) P-C4' energy: -76.688 flat angles C4'-P-C4' energy: -84.065 flat angles P-C4'-P energy: -64.478 tors. eta vs tors. theta energy: -88.757 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: 9 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1123.522215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.522215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.522215 (E_RNA) where: Base-Base interactions energy: -759.363 where: short stacking energy: -318.156 Base-Backbone interact. energy: 2.963 local terms energy: -367.122306 where: bonds (distance) C4'-P energy: -60.131 bonds (distance) P-C4' energy: -86.296 flat angles C4'-P-C4' energy: -89.940 flat angles P-C4'-P energy: -60.727 tors. eta vs tors. theta energy: -70.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -769.365238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.365238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.365238 (E_RNA) where: Base-Base interactions energy: -469.277 where: short stacking energy: -214.813 Base-Backbone interact. energy: -0.214 local terms energy: -299.874544 where: bonds (distance) C4'-P energy: -75.756 bonds (distance) P-C4' energy: -80.505 flat angles C4'-P-C4' energy: -77.543 flat angles P-C4'-P energy: -39.585 tors. eta vs tors. theta energy: -26.486 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: 2 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1880.056208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.056208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.056208 (E_RNA) where: Base-Base interactions energy: -1329.835 where: short stacking energy: -540.221 Base-Backbone interact. energy: -1.155 local terms energy: -549.065698 where: bonds (distance) C4'-P energy: -86.774 bonds (distance) P-C4' energy: -103.730 flat angles C4'-P-C4' energy: -113.926 flat angles P-C4'-P energy: -86.923 tors. eta vs tors. theta energy: -157.712 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: 3 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1769.981292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.981292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.981292 (E_RNA) where: Base-Base interactions energy: -1252.084 where: short stacking energy: -515.273 Base-Backbone interact. energy: 1.395 local terms energy: -519.291912 where: bonds (distance) C4'-P energy: -93.697 bonds (distance) P-C4' energy: -92.953 flat angles C4'-P-C4' energy: -102.218 flat angles P-C4'-P energy: -80.753 tors. eta vs tors. theta energy: -149.670 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: 3, replica: 7 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1730.731050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.731050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.731050 (E_RNA) where: Base-Base interactions energy: -1179.644 where: short stacking energy: -481.968 Base-Backbone interact. energy: -0.918 local terms energy: -550.169759 where: bonds (distance) C4'-P energy: -105.436 bonds (distance) P-C4' energy: -92.462 flat angles C4'-P-C4' energy: -117.855 flat angles P-C4'-P energy: -80.400 tors. eta vs tors. theta energy: -154.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1685.677809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.677809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.677809 (E_RNA) where: Base-Base interactions energy: -1190.956 where: short stacking energy: -459.194 Base-Backbone interact. energy: 0.568 local terms energy: -495.290204 where: bonds (distance) C4'-P energy: -92.145 bonds (distance) P-C4' energy: -85.047 flat angles C4'-P-C4' energy: -111.907 flat angles P-C4'-P energy: -65.444 tors. eta vs tors. theta energy: -140.747 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: 4 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1534.445154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.445154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.445154 (E_RNA) where: Base-Base interactions energy: -1071.680 where: short stacking energy: -443.624 Base-Backbone interact. energy: 0.016 local terms energy: -462.780569 where: bonds (distance) C4'-P energy: -82.079 bonds (distance) P-C4' energy: -72.376 flat angles C4'-P-C4' energy: -100.837 flat angles P-C4'-P energy: -69.210 tors. eta vs tors. theta energy: -138.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1393.028657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.028657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.028657 (E_RNA) where: Base-Base interactions energy: -932.043 where: short stacking energy: -389.457 Base-Backbone interact. energy: -2.258 local terms energy: -458.727767 where: bonds (distance) C4'-P energy: -79.587 bonds (distance) P-C4' energy: -85.964 flat angles C4'-P-C4' energy: -98.452 flat angles P-C4'-P energy: -78.027 tors. eta vs tors. theta energy: -116.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1355.650744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.650744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.650744 (E_RNA) where: Base-Base interactions energy: -896.537 where: short stacking energy: -376.490 Base-Backbone interact. energy: 1.506 local terms energy: -460.620465 where: bonds (distance) C4'-P energy: -84.681 bonds (distance) P-C4' energy: -101.158 flat angles C4'-P-C4' energy: -100.824 flat angles P-C4'-P energy: -65.966 tors. eta vs tors. theta energy: -107.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1257.946180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.946180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.946180 (E_RNA) where: Base-Base interactions energy: -840.049 where: short stacking energy: -353.868 Base-Backbone interact. energy: 2.440 local terms energy: -420.336708 where: bonds (distance) C4'-P energy: -79.660 bonds (distance) P-C4' energy: -93.267 flat angles C4'-P-C4' energy: -89.378 flat angles P-C4'-P energy: -63.911 tors. eta vs tors. theta energy: -94.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -1139.659882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.659882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.659882 (E_RNA) where: Base-Base interactions energy: -771.369 where: short stacking energy: -322.156 Base-Backbone interact. energy: 0.641 local terms energy: -368.931676 where: bonds (distance) C4'-P energy: -89.683 bonds (distance) P-C4' energy: -75.997 flat angles C4'-P-C4' energy: -73.386 flat angles P-C4'-P energy: -46.093 tors. eta vs tors. theta energy: -83.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -815.810872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.810872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.810872 (E_RNA) where: Base-Base interactions energy: -520.883 where: short stacking energy: -245.919 Base-Backbone interact. energy: 2.010 local terms energy: -296.938581 where: bonds (distance) C4'-P energy: -79.245 bonds (distance) P-C4' energy: -67.200 flat angles C4'-P-C4' energy: -78.193 flat angles P-C4'-P energy: -33.146 tors. eta vs tors. theta energy: -39.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1883.930645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.930645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.930645 (E_RNA) where: Base-Base interactions energy: -1337.522 where: short stacking energy: -524.514 Base-Backbone interact. energy: -4.810 local terms energy: -541.598149 where: bonds (distance) C4'-P energy: -86.590 bonds (distance) P-C4' energy: -104.992 flat angles C4'-P-C4' energy: -107.749 flat angles P-C4'-P energy: -83.695 tors. eta vs tors. theta energy: -158.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1774.349113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.349113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.349113 (E_RNA) where: Base-Base interactions energy: -1230.832 where: short stacking energy: -502.403 Base-Backbone interact. energy: -1.709 local terms energy: -541.807960 where: bonds (distance) C4'-P energy: -94.232 bonds (distance) P-C4' energy: -100.164 flat angles C4'-P-C4' energy: -114.325 flat angles P-C4'-P energy: -79.551 tors. eta vs tors. theta energy: -153.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1718.324764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.324764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.324764 (E_RNA) where: Base-Base interactions energy: -1213.023 where: short stacking energy: -498.807 Base-Backbone interact. energy: -1.085 local terms energy: -504.215885 where: bonds (distance) C4'-P energy: -84.255 bonds (distance) P-C4' energy: -84.731 flat angles C4'-P-C4' energy: -106.640 flat angles P-C4'-P energy: -70.254 tors. eta vs tors. theta energy: -158.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1701.552443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.552443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.552443 (E_RNA) where: Base-Base interactions energy: -1203.420 where: short stacking energy: -498.303 Base-Backbone interact. energy: -2.423 local terms energy: -495.708933 where: bonds (distance) C4'-P energy: -70.040 bonds (distance) P-C4' energy: -91.062 flat angles C4'-P-C4' energy: -111.001 flat angles P-C4'-P energy: -68.291 tors. eta vs tors. theta energy: -155.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1578.856590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.856590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.856590 (E_RNA) where: Base-Base interactions energy: -1084.386 where: short stacking energy: -434.114 Base-Backbone interact. energy: -0.948 local terms energy: -493.523473 where: bonds (distance) C4'-P energy: -83.115 bonds (distance) P-C4' energy: -102.007 flat angles C4'-P-C4' energy: -97.964 flat angles P-C4'-P energy: -67.474 tors. eta vs tors. theta energy: -142.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1379.918299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.918299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.918299 (E_RNA) where: Base-Base interactions energy: -942.917 where: short stacking energy: -391.015 Base-Backbone interact. energy: -1.437 local terms energy: -435.564023 where: bonds (distance) C4'-P energy: -74.655 bonds (distance) P-C4' energy: -100.434 flat angles C4'-P-C4' energy: -97.360 flat angles P-C4'-P energy: -53.201 tors. eta vs tors. theta energy: -109.912 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: 6 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1299.991079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.991079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.991079 (E_RNA) where: Base-Base interactions energy: -870.176 where: short stacking energy: -368.792 Base-Backbone interact. energy: -0.545 local terms energy: -429.269874 where: bonds (distance) C4'-P energy: -90.220 bonds (distance) P-C4' energy: -79.085 flat angles C4'-P-C4' energy: -82.899 flat angles P-C4'-P energy: -72.187 tors. eta vs tors. theta energy: -104.879 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: 5 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1321.828057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.828057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.828057 (E_RNA) where: Base-Base interactions energy: -897.920 where: short stacking energy: -374.907 Base-Backbone interact. energy: 3.445 local terms energy: -427.353458 where: bonds (distance) C4'-P energy: -59.807 bonds (distance) P-C4' energy: -86.122 flat angles C4'-P-C4' energy: -106.827 flat angles P-C4'-P energy: -63.970 tors. eta vs tors. theta energy: -110.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1177.667109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.667109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.667109 (E_RNA) where: Base-Base interactions energy: -779.940 where: short stacking energy: -313.198 Base-Backbone interact. energy: -3.148 local terms energy: -394.579283 where: bonds (distance) C4'-P energy: -82.271 bonds (distance) P-C4' energy: -81.339 flat angles C4'-P-C4' energy: -96.946 flat angles P-C4'-P energy: -49.337 tors. eta vs tors. theta energy: -84.686 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: 10 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -787.916738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.916738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.916738 (E_RNA) where: Base-Base interactions energy: -460.455 where: short stacking energy: -218.933 Base-Backbone interact. energy: 1.067 local terms energy: -328.529156 where: bonds (distance) C4'-P energy: -89.854 bonds (distance) P-C4' energy: -73.854 flat angles C4'-P-C4' energy: -80.810 flat angles P-C4'-P energy: -45.250 tors. eta vs tors. theta energy: -38.762 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: 1, replica: 2 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1866.714121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.714121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.714121 (E_RNA) where: Base-Base interactions energy: -1317.468 where: short stacking energy: -520.690 Base-Backbone interact. energy: -0.939 local terms energy: -548.307622 where: bonds (distance) C4'-P energy: -92.873 bonds (distance) P-C4' energy: -93.943 flat angles C4'-P-C4' energy: -112.408 flat angles P-C4'-P energy: -86.331 tors. eta vs tors. theta energy: -162.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1751.192261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.192261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.192261 (E_RNA) where: Base-Base interactions energy: -1238.779 where: short stacking energy: -513.887 Base-Backbone interact. energy: -1.713 local terms energy: -510.700070 where: bonds (distance) C4'-P energy: -82.436 bonds (distance) P-C4' energy: -99.146 flat angles C4'-P-C4' energy: -109.531 flat angles P-C4'-P energy: -71.501 tors. eta vs tors. theta energy: -148.086 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: 3, replica: 7 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1710.081432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.081432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.081432 (E_RNA) where: Base-Base interactions energy: -1186.276 where: short stacking energy: -477.966 Base-Backbone interact. energy: -3.225 local terms energy: -520.580857 where: bonds (distance) C4'-P energy: -90.417 bonds (distance) P-C4' energy: -83.763 flat angles C4'-P-C4' energy: -112.451 flat angles P-C4'-P energy: -83.367 tors. eta vs tors. theta energy: -150.584 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: 4 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1631.782424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.782424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.782424 (E_RNA) where: Base-Base interactions energy: -1143.747 where: short stacking energy: -493.266 Base-Backbone interact. energy: 1.327 local terms energy: -489.362773 where: bonds (distance) C4'-P energy: -82.034 bonds (distance) P-C4' energy: -97.614 flat angles C4'-P-C4' energy: -85.041 flat angles P-C4'-P energy: -71.333 tors. eta vs tors. theta energy: -153.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1633.712064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.712064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.712064 (E_RNA) where: Base-Base interactions energy: -1150.766 where: short stacking energy: -462.094 Base-Backbone interact. energy: 1.031 local terms energy: -483.976502 where: bonds (distance) C4'-P energy: -72.314 bonds (distance) P-C4' energy: -84.908 flat angles C4'-P-C4' energy: -109.308 flat angles P-C4'-P energy: -82.078 tors. eta vs tors. theta energy: -135.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1441.640908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.640908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.640908 (E_RNA) where: Base-Base interactions energy: -990.262 where: short stacking energy: -401.822 Base-Backbone interact. energy: -1.681 local terms energy: -449.697883 where: bonds (distance) C4'-P energy: -80.012 bonds (distance) P-C4' energy: -90.839 flat angles C4'-P-C4' energy: -94.830 flat angles P-C4'-P energy: -61.344 tors. eta vs tors. theta energy: -122.673 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: 6 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1278.238795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.238795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.238795 (E_RNA) where: Base-Base interactions energy: -861.593 where: short stacking energy: -354.919 Base-Backbone interact. energy: -1.310 local terms energy: -415.335602 where: bonds (distance) C4'-P energy: -80.049 bonds (distance) P-C4' energy: -87.788 flat angles C4'-P-C4' energy: -90.505 flat angles P-C4'-P energy: -65.043 tors. eta vs tors. theta energy: -91.951 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: 279 Temperature: 1.250000 Total energy: -1265.353950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.353950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.353950 (E_RNA) where: Base-Base interactions energy: -886.873 where: short stacking energy: -361.844 Base-Backbone interact. energy: 1.553 local terms energy: -380.033685 where: bonds (distance) C4'-P energy: -68.712 bonds (distance) P-C4' energy: -81.975 flat angles C4'-P-C4' energy: -91.597 flat angles P-C4'-P energy: -47.368 tors. eta vs tors. theta energy: -90.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1195.945568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.945568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.945568 (E_RNA) where: Base-Base interactions energy: -821.073 where: short stacking energy: -362.525 Base-Backbone interact. energy: -1.106 local terms energy: -373.765853 where: bonds (distance) C4'-P energy: -53.156 bonds (distance) P-C4' energy: -92.410 flat angles C4'-P-C4' energy: -83.678 flat angles P-C4'-P energy: -43.839 tors. eta vs tors. theta energy: -100.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -809.431066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.431066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.431066 (E_RNA) where: Base-Base interactions energy: -470.005 where: short stacking energy: -217.819 Base-Backbone interact. energy: -1.332 local terms energy: -338.094330 where: bonds (distance) C4'-P energy: -84.910 bonds (distance) P-C4' energy: -86.752 flat angles C4'-P-C4' energy: -93.205 flat angles P-C4'-P energy: -39.924 tors. eta vs tors. theta energy: -33.303 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: 2 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1874.352686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.352686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.352686 (E_RNA) where: Base-Base interactions energy: -1319.922 where: short stacking energy: -523.704 Base-Backbone interact. energy: -1.266 local terms energy: -553.163910 where: bonds (distance) C4'-P energy: -100.357 bonds (distance) P-C4' energy: -99.507 flat angles C4'-P-C4' energy: -116.290 flat angles P-C4'-P energy: -77.132 tors. eta vs tors. theta energy: -159.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1771.859172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.859172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.859172 (E_RNA) where: Base-Base interactions energy: -1243.553 where: short stacking energy: -514.160 Base-Backbone interact. energy: -0.303 local terms energy: -528.003161 where: bonds (distance) C4'-P energy: -98.393 bonds (distance) P-C4' energy: -104.131 flat angles C4'-P-C4' energy: -96.585 flat angles P-C4'-P energy: -78.184 tors. eta vs tors. theta energy: -150.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1710.465357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.465357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.465357 (E_RNA) where: Base-Base interactions energy: -1186.714 where: short stacking energy: -480.619 Base-Backbone interact. energy: -0.514 local terms energy: -523.237913 where: bonds (distance) C4'-P energy: -89.020 bonds (distance) P-C4' energy: -83.810 flat angles C4'-P-C4' energy: -118.957 flat angles P-C4'-P energy: -75.980 tors. eta vs tors. theta energy: -155.471 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: 4, replica: 4 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1589.901449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.901449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.901449 (E_RNA) where: Base-Base interactions energy: -1104.691 where: short stacking energy: -456.708 Base-Backbone interact. energy: -0.515 local terms energy: -484.694600 where: bonds (distance) C4'-P energy: -73.258 bonds (distance) P-C4' energy: -89.735 flat angles C4'-P-C4' energy: -106.547 flat angles P-C4'-P energy: -67.323 tors. eta vs tors. theta energy: -147.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1654.160061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.160061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.160061 (E_RNA) where: Base-Base interactions energy: -1159.922 where: short stacking energy: -461.887 Base-Backbone interact. energy: -2.494 local terms energy: -491.744510 where: bonds (distance) C4'-P energy: -79.683 bonds (distance) P-C4' energy: -99.495 flat angles C4'-P-C4' energy: -104.366 flat angles P-C4'-P energy: -69.732 tors. eta vs tors. theta energy: -138.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1438.377603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.377603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.377603 (E_RNA) where: Base-Base interactions energy: -985.577 where: short stacking energy: -411.347 Base-Backbone interact. energy: -1.443 local terms energy: -451.358339 where: bonds (distance) C4'-P energy: -89.854 bonds (distance) P-C4' energy: -86.178 flat angles C4'-P-C4' energy: -101.797 flat angles P-C4'-P energy: -57.421 tors. eta vs tors. theta energy: -116.108 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: 7, replica: 5 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1297.871382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.871382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.871382 (E_RNA) where: Base-Base interactions energy: -878.634 where: short stacking energy: -370.313 Base-Backbone interact. energy: -0.597 local terms energy: -418.640567 where: bonds (distance) C4'-P energy: -96.260 bonds (distance) P-C4' energy: -68.304 flat angles C4'-P-C4' energy: -99.841 flat angles P-C4'-P energy: -58.340 tors. eta vs tors. theta energy: -95.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1267.113243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.113243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.113243 (E_RNA) where: Base-Base interactions energy: -861.085 where: short stacking energy: -367.640 Base-Backbone interact. energy: -0.468 local terms energy: -405.559384 where: bonds (distance) C4'-P energy: -83.014 bonds (distance) P-C4' energy: -75.578 flat angles C4'-P-C4' energy: -95.874 flat angles P-C4'-P energy: -50.533 tors. eta vs tors. theta energy: -100.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -1198.257069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.257069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.257069 (E_RNA) where: Base-Base interactions energy: -794.526 where: short stacking energy: -341.377 Base-Backbone interact. energy: -1.166 local terms energy: -402.564240 where: bonds (distance) C4'-P energy: -70.326 bonds (distance) P-C4' energy: -84.987 flat angles C4'-P-C4' energy: -87.388 flat angles P-C4'-P energy: -72.520 tors. eta vs tors. theta energy: -87.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -753.896367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.896367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.896367 (E_RNA) where: Base-Base interactions energy: -436.300 where: short stacking energy: -190.397 Base-Backbone interact. energy: -1.776 local terms energy: -315.820349 where: bonds (distance) C4'-P energy: -68.237 bonds (distance) P-C4' energy: -76.513 flat angles C4'-P-C4' energy: -85.384 flat angles P-C4'-P energy: -52.690 tors. eta vs tors. theta energy: -32.997 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: 2 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1868.234926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.234926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.234926 (E_RNA) where: Base-Base interactions energy: -1313.152 where: short stacking energy: -526.438 Base-Backbone interact. energy: -2.031 local terms energy: -553.052825 where: bonds (distance) C4'-P energy: -94.649 bonds (distance) P-C4' energy: -106.105 flat angles C4'-P-C4' energy: -110.101 flat angles P-C4'-P energy: -81.659 tors. eta vs tors. theta energy: -160.539 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: 2, replica: 3 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1757.351197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.351197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.351197 (E_RNA) where: Base-Base interactions energy: -1240.055 where: short stacking energy: -514.242 Base-Backbone interact. energy: 1.123 local terms energy: -518.419840 where: bonds (distance) C4'-P energy: -87.328 bonds (distance) P-C4' energy: -89.156 flat angles C4'-P-C4' energy: -115.843 flat angles P-C4'-P energy: -71.433 tors. eta vs tors. theta energy: -154.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1694.629414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.629414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.629414 (E_RNA) where: Base-Base interactions energy: -1193.896 where: short stacking energy: -484.088 Base-Backbone interact. energy: -1.747 local terms energy: -498.987190 where: bonds (distance) C4'-P energy: -69.078 bonds (distance) P-C4' energy: -98.537 flat angles C4'-P-C4' energy: -107.557 flat angles P-C4'-P energy: -65.387 tors. eta vs tors. theta energy: -158.429 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: 8 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1699.352430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.352430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.352430 (E_RNA) where: Base-Base interactions energy: -1182.540 where: short stacking energy: -482.637 Base-Backbone interact. energy: -0.849 local terms energy: -515.963304 where: bonds (distance) C4'-P energy: -96.346 bonds (distance) P-C4' energy: -86.192 flat angles C4'-P-C4' energy: -104.107 flat angles P-C4'-P energy: -74.705 tors. eta vs tors. theta energy: -154.614 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: 4 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1539.557955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.557955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.557955 (E_RNA) where: Base-Base interactions energy: -1072.069 where: short stacking energy: -441.545 Base-Backbone interact. energy: -0.409 local terms energy: -467.079235 where: bonds (distance) C4'-P energy: -89.980 bonds (distance) P-C4' energy: -90.949 flat angles C4'-P-C4' energy: -81.762 flat angles P-C4'-P energy: -65.035 tors. eta vs tors. theta energy: -139.353 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: 1 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1452.409359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.409359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.409359 (E_RNA) where: Base-Base interactions energy: -1002.997 where: short stacking energy: -390.477 Base-Backbone interact. energy: -1.256 local terms energy: -448.155854 where: bonds (distance) C4'-P energy: -87.785 bonds (distance) P-C4' energy: -90.553 flat angles C4'-P-C4' energy: -97.399 flat angles P-C4'-P energy: -65.082 tors. eta vs tors. theta energy: -107.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1266.535522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.535522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.535522 (E_RNA) where: Base-Base interactions energy: -874.952 where: short stacking energy: -369.536 Base-Backbone interact. energy: -0.242 local terms energy: -391.341221 where: bonds (distance) C4'-P energy: -76.887 bonds (distance) P-C4' energy: -76.144 flat angles C4'-P-C4' energy: -81.720 flat angles P-C4'-P energy: -62.256 tors. eta vs tors. theta energy: -94.334 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: 281 Temperature: 1.250000 Total energy: -1270.862740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.862740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.862740 (E_RNA) where: Base-Base interactions energy: -880.536 where: short stacking energy: -360.066 Base-Backbone interact. energy: 3.469 local terms energy: -393.796163 where: bonds (distance) C4'-P energy: -88.777 bonds (distance) P-C4' energy: -77.228 flat angles C4'-P-C4' energy: -73.936 flat angles P-C4'-P energy: -62.186 tors. eta vs tors. theta energy: -91.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -1201.859378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.859378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.859378 (E_RNA) where: Base-Base interactions energy: -804.663 where: short stacking energy: -350.226 Base-Backbone interact. energy: -0.319 local terms energy: -396.877025 where: bonds (distance) C4'-P energy: -57.999 bonds (distance) P-C4' energy: -80.494 flat angles C4'-P-C4' energy: -97.665 flat angles P-C4'-P energy: -61.117 tors. eta vs tors. theta energy: -99.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -790.775210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.775210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.775210 (E_RNA) where: Base-Base interactions energy: -448.508 where: short stacking energy: -196.081 Base-Backbone interact. energy: -4.292 local terms energy: -337.975043 where: bonds (distance) C4'-P energy: -89.343 bonds (distance) P-C4' energy: -79.575 flat angles C4'-P-C4' energy: -78.344 flat angles P-C4'-P energy: -45.448 tors. eta vs tors. theta energy: -45.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1874.866192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.866192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.866192 (E_RNA) where: Base-Base interactions energy: -1316.748 where: short stacking energy: -528.272 Base-Backbone interact. energy: -2.796 local terms energy: -555.322310 where: bonds (distance) C4'-P energy: -84.790 bonds (distance) P-C4' energy: -100.922 flat angles C4'-P-C4' energy: -119.914 flat angles P-C4'-P energy: -84.645 tors. eta vs tors. theta energy: -165.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1774.453705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.453705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.453705 (E_RNA) where: Base-Base interactions energy: -1264.293 where: short stacking energy: -506.326 Base-Backbone interact. energy: -0.408 local terms energy: -509.753047 where: bonds (distance) C4'-P energy: -97.020 bonds (distance) P-C4' energy: -94.503 flat angles C4'-P-C4' energy: -96.889 flat angles P-C4'-P energy: -70.771 tors. eta vs tors. theta energy: -150.570 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: 7 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1753.233944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.233944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.233944 (E_RNA) where: Base-Base interactions energy: -1192.427 where: short stacking energy: -508.747 Base-Backbone interact. energy: -1.310 local terms energy: -559.497021 where: bonds (distance) C4'-P energy: -98.028 bonds (distance) P-C4' energy: -106.271 flat angles C4'-P-C4' energy: -110.438 flat angles P-C4'-P energy: -75.624 tors. eta vs tors. theta energy: -169.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1677.846910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.846910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.846910 (E_RNA) where: Base-Base interactions energy: -1180.420 where: short stacking energy: -476.614 Base-Backbone interact. energy: -1.414 local terms energy: -496.012373 where: bonds (distance) C4'-P energy: -76.038 bonds (distance) P-C4' energy: -90.397 flat angles C4'-P-C4' energy: -107.128 flat angles P-C4'-P energy: -75.007 tors. eta vs tors. theta energy: -147.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1503.890465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.890465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.890465 (E_RNA) where: Base-Base interactions energy: -1022.921 where: short stacking energy: -433.872 Base-Backbone interact. energy: 0.474 local terms energy: -481.443540 where: bonds (distance) C4'-P energy: -82.867 bonds (distance) P-C4' energy: -82.825 flat angles C4'-P-C4' energy: -109.559 flat angles P-C4'-P energy: -73.135 tors. eta vs tors. theta energy: -133.057 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: 4 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1521.239617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.239617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.239617 (E_RNA) where: Base-Base interactions energy: -1043.285 where: short stacking energy: -436.745 Base-Backbone interact. energy: 0.886 local terms energy: -478.840653 where: bonds (distance) C4'-P energy: -93.513 bonds (distance) P-C4' energy: -89.034 flat angles C4'-P-C4' energy: -97.192 flat angles P-C4'-P energy: -64.980 tors. eta vs tors. theta energy: -134.122 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: 6 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1337.292041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.292041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.292041 (E_RNA) where: Base-Base interactions energy: -924.795 where: short stacking energy: -390.932 Base-Backbone interact. energy: -0.911 local terms energy: -411.586058 where: bonds (distance) C4'-P energy: -71.493 bonds (distance) P-C4' energy: -87.040 flat angles C4'-P-C4' energy: -91.462 flat angles P-C4'-P energy: -60.948 tors. eta vs tors. theta energy: -100.643 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: 5 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1258.794036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.794036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.794036 (E_RNA) where: Base-Base interactions energy: -864.474 where: short stacking energy: -363.349 Base-Backbone interact. energy: -1.316 local terms energy: -393.004232 where: bonds (distance) C4'-P energy: -69.384 bonds (distance) P-C4' energy: -69.351 flat angles C4'-P-C4' energy: -90.117 flat angles P-C4'-P energy: -59.876 tors. eta vs tors. theta energy: -104.276 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: 9 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1205.882003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.882003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.882003 (E_RNA) where: Base-Base interactions energy: -808.105 where: short stacking energy: -369.011 Base-Backbone interact. energy: 0.920 local terms energy: -398.697573 where: bonds (distance) C4'-P energy: -66.443 bonds (distance) P-C4' energy: -90.085 flat angles C4'-P-C4' energy: -84.120 flat angles P-C4'-P energy: -57.730 tors. eta vs tors. theta energy: -100.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -777.135752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.135752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.135752 (E_RNA) where: Base-Base interactions energy: -460.777 where: short stacking energy: -213.443 Base-Backbone interact. energy: 1.550 local terms energy: -317.909047 where: bonds (distance) C4'-P energy: -84.803 bonds (distance) P-C4' energy: -76.315 flat angles C4'-P-C4' energy: -76.229 flat angles P-C4'-P energy: -53.953 tors. eta vs tors. theta energy: -26.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1883.364528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.364528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.364528 (E_RNA) where: Base-Base interactions energy: -1334.694 where: short stacking energy: -525.361 Base-Backbone interact. energy: -0.825 local terms energy: -547.845263 where: bonds (distance) C4'-P energy: -92.690 bonds (distance) P-C4' energy: -93.491 flat angles C4'-P-C4' energy: -117.400 flat angles P-C4'-P energy: -81.992 tors. eta vs tors. theta energy: -162.272 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: 3 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1790.416884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.416884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.416884 (E_RNA) where: Base-Base interactions energy: -1247.275 where: short stacking energy: -515.117 Base-Backbone interact. energy: -0.387 local terms energy: -542.755027 where: bonds (distance) C4'-P energy: -104.537 bonds (distance) P-C4' energy: -94.628 flat angles C4'-P-C4' energy: -114.966 flat angles P-C4'-P energy: -84.739 tors. eta vs tors. theta energy: -143.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1721.579742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.579742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.579742 (E_RNA) where: Base-Base interactions energy: -1181.597 where: short stacking energy: -506.462 Base-Backbone interact. energy: -1.792 local terms energy: -538.190559 where: bonds (distance) C4'-P energy: -92.047 bonds (distance) P-C4' energy: -98.116 flat angles C4'-P-C4' energy: -110.580 flat angles P-C4'-P energy: -74.519 tors. eta vs tors. theta energy: -162.929 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: 8 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1677.022113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.022113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.022113 (E_RNA) where: Base-Base interactions energy: -1176.728 where: short stacking energy: -487.050 Base-Backbone interact. energy: -1.011 local terms energy: -499.283499 where: bonds (distance) C4'-P energy: -89.089 bonds (distance) P-C4' energy: -82.316 flat angles C4'-P-C4' energy: -109.804 flat angles P-C4'-P energy: -71.753 tors. eta vs tors. theta energy: -146.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1524.911985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.911985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.911985 (E_RNA) where: Base-Base interactions energy: -1037.891 where: short stacking energy: -431.996 Base-Backbone interact. energy: -0.784 local terms energy: -486.237167 where: bonds (distance) C4'-P energy: -81.090 bonds (distance) P-C4' energy: -96.399 flat angles C4'-P-C4' energy: -110.174 flat angles P-C4'-P energy: -67.284 tors. eta vs tors. theta energy: -131.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1513.834972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.834972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.834972 (E_RNA) where: Base-Base interactions energy: -1065.473 where: short stacking energy: -446.507 Base-Backbone interact. energy: -1.028 local terms energy: -447.333615 where: bonds (distance) C4'-P energy: -87.783 bonds (distance) P-C4' energy: -87.412 flat angles C4'-P-C4' energy: -90.421 flat angles P-C4'-P energy: -45.043 tors. eta vs tors. theta energy: -136.674 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: 6 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1361.356786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.356786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.356786 (E_RNA) where: Base-Base interactions energy: -923.799 where: short stacking energy: -386.326 Base-Backbone interact. energy: 1.281 local terms energy: -438.838961 where: bonds (distance) C4'-P energy: -74.267 bonds (distance) P-C4' energy: -80.909 flat angles C4'-P-C4' energy: -104.150 flat angles P-C4'-P energy: -61.533 tors. eta vs tors. theta energy: -117.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1273.682714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.682714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.682714 (E_RNA) where: Base-Base interactions energy: -867.931 where: short stacking energy: -358.856 Base-Backbone interact. energy: -1.489 local terms energy: -404.262157 where: bonds (distance) C4'-P energy: -85.927 bonds (distance) P-C4' energy: -67.460 flat angles C4'-P-C4' energy: -92.120 flat angles P-C4'-P energy: -60.305 tors. eta vs tors. theta energy: -98.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -1183.479499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.479499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.479499 (E_RNA) where: Base-Base interactions energy: -786.507 where: short stacking energy: -322.400 Base-Backbone interact. energy: -0.037 local terms energy: -396.935843 where: bonds (distance) C4'-P energy: -80.830 bonds (distance) P-C4' energy: -92.680 flat angles C4'-P-C4' energy: -84.161 flat angles P-C4'-P energy: -51.973 tors. eta vs tors. theta energy: -87.291 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: 10 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -754.590083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.590083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.590083 (E_RNA) where: Base-Base interactions energy: -451.334 where: short stacking energy: -197.834 Base-Backbone interact. energy: 4.033 local terms energy: -307.289588 where: bonds (distance) C4'-P energy: -65.910 bonds (distance) P-C4' energy: -99.318 flat angles C4'-P-C4' energy: -60.737 flat angles P-C4'-P energy: -66.877 tors. eta vs tors. theta energy: -14.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1864.682893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.682893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.682893 (E_RNA) where: Base-Base interactions energy: -1317.626 where: short stacking energy: -522.800 Base-Backbone interact. energy: 0.531 local terms energy: -547.588582 where: bonds (distance) C4'-P energy: -97.301 bonds (distance) P-C4' energy: -102.753 flat angles C4'-P-C4' energy: -106.669 flat angles P-C4'-P energy: -80.204 tors. eta vs tors. theta energy: -160.661 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: 3 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1771.339514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.339514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.339514 (E_RNA) where: Base-Base interactions energy: -1255.368 where: short stacking energy: -510.031 Base-Backbone interact. energy: 0.738 local terms energy: -516.708881 where: bonds (distance) C4'-P energy: -90.416 bonds (distance) P-C4' energy: -89.354 flat angles C4'-P-C4' energy: -107.605 flat angles P-C4'-P energy: -76.519 tors. eta vs tors. theta energy: -152.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1717.713682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.713682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.713682 (E_RNA) where: Base-Base interactions energy: -1190.404 where: short stacking energy: -482.041 Base-Backbone interact. energy: -0.125 local terms energy: -527.184804 where: bonds (distance) C4'-P energy: -83.057 bonds (distance) P-C4' energy: -98.371 flat angles C4'-P-C4' energy: -120.755 flat angles P-C4'-P energy: -77.678 tors. eta vs tors. theta energy: -147.323 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: 4, replica: 7 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1666.276391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.276391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.276391 (E_RNA) where: Base-Base interactions energy: -1167.177 where: short stacking energy: -460.656 Base-Backbone interact. energy: -2.641 local terms energy: -496.458716 where: bonds (distance) C4'-P energy: -73.438 bonds (distance) P-C4' energy: -91.657 flat angles C4'-P-C4' energy: -107.859 flat angles P-C4'-P energy: -71.459 tors. eta vs tors. theta energy: -152.046 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: 4 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1541.759401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.759401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.759401 (E_RNA) where: Base-Base interactions energy: -1057.633 where: short stacking energy: -437.939 Base-Backbone interact. energy: -2.191 local terms energy: -481.934799 where: bonds (distance) C4'-P energy: -89.924 bonds (distance) P-C4' energy: -91.977 flat angles C4'-P-C4' energy: -92.978 flat angles P-C4'-P energy: -69.091 tors. eta vs tors. theta energy: -137.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1456.604377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.604377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.604377 (E_RNA) where: Base-Base interactions energy: -1014.597 where: short stacking energy: -423.920 Base-Backbone interact. energy: -0.981 local terms energy: -441.026598 where: bonds (distance) C4'-P energy: -76.909 bonds (distance) P-C4' energy: -81.563 flat angles C4'-P-C4' energy: -96.048 flat angles P-C4'-P energy: -58.672 tors. eta vs tors. theta energy: -127.836 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: 7, replica: 6 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1335.575879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.575879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.575879 (E_RNA) where: Base-Base interactions energy: -916.960 where: short stacking energy: -386.403 Base-Backbone interact. energy: -1.467 local terms energy: -417.148893 where: bonds (distance) C4'-P energy: -90.115 bonds (distance) P-C4' energy: -72.933 flat angles C4'-P-C4' energy: -106.863 flat angles P-C4'-P energy: -45.687 tors. eta vs tors. theta energy: -101.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1198.660990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.660990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.660990 (E_RNA) where: Base-Base interactions energy: -812.344 where: short stacking energy: -353.337 Base-Backbone interact. energy: -0.772 local terms energy: -385.545100 where: bonds (distance) C4'-P energy: -75.186 bonds (distance) P-C4' energy: -71.850 flat angles C4'-P-C4' energy: -91.180 flat angles P-C4'-P energy: -58.060 tors. eta vs tors. theta energy: -89.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -1172.558326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.558326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.558326 (E_RNA) where: Base-Base interactions energy: -770.526 where: short stacking energy: -329.184 Base-Backbone interact. energy: -1.086 local terms energy: -400.946180 where: bonds (distance) C4'-P energy: -81.347 bonds (distance) P-C4' energy: -86.350 flat angles C4'-P-C4' energy: -89.600 flat angles P-C4'-P energy: -56.700 tors. eta vs tors. theta energy: -86.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -763.058679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.058679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.058679 (E_RNA) where: Base-Base interactions energy: -460.916 where: short stacking energy: -207.510 Base-Backbone interact. energy: -3.265 local terms energy: -298.877858 where: bonds (distance) C4'-P energy: -62.681 bonds (distance) P-C4' energy: -63.791 flat angles C4'-P-C4' energy: -94.460 flat angles P-C4'-P energy: -40.439 tors. eta vs tors. theta energy: -37.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1873.253043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.253043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.253043 (E_RNA) where: Base-Base interactions energy: -1309.738 where: short stacking energy: -523.897 Base-Backbone interact. energy: -2.088 local terms energy: -561.427575 where: bonds (distance) C4'-P energy: -97.457 bonds (distance) P-C4' energy: -101.331 flat angles C4'-P-C4' energy: -119.056 flat angles P-C4'-P energy: -77.125 tors. eta vs tors. theta energy: -166.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1777.061167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.061167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.061167 (E_RNA) where: Base-Base interactions energy: -1267.798 where: short stacking energy: -524.452 Base-Backbone interact. energy: -0.120 local terms energy: -509.143004 where: bonds (distance) C4'-P energy: -84.234 bonds (distance) P-C4' energy: -97.218 flat angles C4'-P-C4' energy: -110.867 flat angles P-C4'-P energy: -72.151 tors. eta vs tors. theta energy: -144.673 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: 8 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1753.971453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.971453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.971453 (E_RNA) where: Base-Base interactions energy: -1216.289 where: short stacking energy: -499.735 Base-Backbone interact. energy: -2.117 local terms energy: -535.565959 where: bonds (distance) C4'-P energy: -95.568 bonds (distance) P-C4' energy: -84.752 flat angles C4'-P-C4' energy: -118.442 flat angles P-C4'-P energy: -74.571 tors. eta vs tors. theta energy: -162.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1614.293558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.293558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.293558 (E_RNA) where: Base-Base interactions energy: -1133.329 where: short stacking energy: -463.456 Base-Backbone interact. energy: -1.387 local terms energy: -479.577333 where: bonds (distance) C4'-P energy: -92.885 bonds (distance) P-C4' energy: -75.560 flat angles C4'-P-C4' energy: -106.465 flat angles P-C4'-P energy: -69.847 tors. eta vs tors. theta energy: -134.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1548.980909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.980909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.980909 (E_RNA) where: Base-Base interactions energy: -1074.289 where: short stacking energy: -430.508 Base-Backbone interact. energy: -1.137 local terms energy: -473.554998 where: bonds (distance) C4'-P energy: -84.452 bonds (distance) P-C4' energy: -85.932 flat angles C4'-P-C4' energy: -100.901 flat angles P-C4'-P energy: -68.965 tors. eta vs tors. theta energy: -133.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1534.209831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.209831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.209831 (E_RNA) where: Base-Base interactions energy: -1079.563 where: short stacking energy: -445.975 Base-Backbone interact. energy: -0.225 local terms energy: -454.421965 where: bonds (distance) C4'-P energy: -71.134 bonds (distance) P-C4' energy: -85.676 flat angles C4'-P-C4' energy: -100.018 flat angles P-C4'-P energy: -54.916 tors. eta vs tors. theta energy: -142.678 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: 285 Temperature: 1.200000 Total energy: -1392.461941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.461941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.461941 (E_RNA) where: Base-Base interactions energy: -971.335 where: short stacking energy: -389.659 Base-Backbone interact. energy: 2.346 local terms energy: -423.473231 where: bonds (distance) C4'-P energy: -96.289 bonds (distance) P-C4' energy: -79.274 flat angles C4'-P-C4' energy: -86.263 flat angles P-C4'-P energy: -56.181 tors. eta vs tors. theta energy: -105.466 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: 8, replica: 5 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1215.183908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.183908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.183908 (E_RNA) where: Base-Base interactions energy: -811.469 where: short stacking energy: -355.392 Base-Backbone interact. energy: 0.105 local terms energy: -403.820716 where: bonds (distance) C4'-P energy: -69.562 bonds (distance) P-C4' energy: -79.688 flat angles C4'-P-C4' energy: -98.878 flat angles P-C4'-P energy: -60.578 tors. eta vs tors. theta energy: -95.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1181.207053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.207053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.207053 (E_RNA) where: Base-Base interactions energy: -807.589 where: short stacking energy: -333.138 Base-Backbone interact. energy: -1.226 local terms energy: -372.391461 where: bonds (distance) C4'-P energy: -66.433 bonds (distance) P-C4' energy: -88.069 flat angles C4'-P-C4' energy: -78.434 flat angles P-C4'-P energy: -53.184 tors. eta vs tors. theta energy: -86.272 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: 10 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -764.398540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.398540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.398540 (E_RNA) where: Base-Base interactions energy: -472.675 where: short stacking energy: -234.175 Base-Backbone interact. energy: -0.948 local terms energy: -290.776384 where: bonds (distance) C4'-P energy: -74.003 bonds (distance) P-C4' energy: -72.892 flat angles C4'-P-C4' energy: -58.954 flat angles P-C4'-P energy: -47.239 tors. eta vs tors. theta energy: -37.688 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: 1, replica: 2 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1877.876278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.876278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.876278 (E_RNA) where: Base-Base interactions energy: -1324.391 where: short stacking energy: -531.655 Base-Backbone interact. energy: -3.714 local terms energy: -549.771024 where: bonds (distance) C4'-P energy: -100.070 bonds (distance) P-C4' energy: -93.081 flat angles C4'-P-C4' energy: -111.989 flat angles P-C4'-P energy: -82.319 tors. eta vs tors. theta energy: -162.312 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: 3 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1764.032350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.032350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.032350 (E_RNA) where: Base-Base interactions energy: -1235.699 where: short stacking energy: -503.536 Base-Backbone interact. energy: -1.929 local terms energy: -526.404118 where: bonds (distance) C4'-P energy: -91.648 bonds (distance) P-C4' energy: -90.681 flat angles C4'-P-C4' energy: -113.044 flat angles P-C4'-P energy: -73.276 tors. eta vs tors. theta energy: -157.755 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: 3, replica: 8 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1774.212339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.212339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.212339 (E_RNA) where: Base-Base interactions energy: -1259.970 where: short stacking energy: -513.239 Base-Backbone interact. energy: 0.878 local terms energy: -515.120678 where: bonds (distance) C4'-P energy: -93.479 bonds (distance) P-C4' energy: -92.422 flat angles C4'-P-C4' energy: -107.302 flat angles P-C4'-P energy: -61.035 tors. eta vs tors. theta energy: -160.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1623.996918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.996918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.996918 (E_RNA) where: Base-Base interactions energy: -1136.529 where: short stacking energy: -457.515 Base-Backbone interact. energy: -1.417 local terms energy: -486.050856 where: bonds (distance) C4'-P energy: -90.070 bonds (distance) P-C4' energy: -90.189 flat angles C4'-P-C4' energy: -100.388 flat angles P-C4'-P energy: -59.864 tors. eta vs tors. theta energy: -145.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1522.872036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.872036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.872036 (E_RNA) where: Base-Base interactions energy: -1071.281 where: short stacking energy: -434.798 Base-Backbone interact. energy: -0.357 local terms energy: -451.234487 where: bonds (distance) C4'-P energy: -82.322 bonds (distance) P-C4' energy: -75.605 flat angles C4'-P-C4' energy: -101.522 flat angles P-C4'-P energy: -67.236 tors. eta vs tors. theta energy: -124.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1490.805836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.805836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.805836 (E_RNA) where: Base-Base interactions energy: -1038.896 where: short stacking energy: -431.944 Base-Backbone interact. energy: 1.774 local terms energy: -453.683725 where: bonds (distance) C4'-P energy: -69.889 bonds (distance) P-C4' energy: -93.007 flat angles C4'-P-C4' energy: -93.365 flat angles P-C4'-P energy: -68.305 tors. eta vs tors. theta energy: -129.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1352.296906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.296906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.296906 (E_RNA) where: Base-Base interactions energy: -929.500 where: short stacking energy: -384.197 Base-Backbone interact. energy: 1.213 local terms energy: -424.009478 where: bonds (distance) C4'-P energy: -79.151 bonds (distance) P-C4' energy: -77.052 flat angles C4'-P-C4' energy: -96.823 flat angles P-C4'-P energy: -67.510 tors. eta vs tors. theta energy: -103.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1205.907023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.907023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.907023 (E_RNA) where: Base-Base interactions energy: -808.916 where: short stacking energy: -348.784 Base-Backbone interact. energy: 2.567 local terms energy: -399.557577 where: bonds (distance) C4'-P energy: -84.260 bonds (distance) P-C4' energy: -79.702 flat angles C4'-P-C4' energy: -86.982 flat angles P-C4'-P energy: -60.737 tors. eta vs tors. theta energy: -87.876 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: 9, replica: 9 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -1217.804193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.804193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.804193 (E_RNA) where: Base-Base interactions energy: -812.175 where: short stacking energy: -336.732 Base-Backbone interact. energy: -0.497 local terms energy: -405.132710 where: bonds (distance) C4'-P energy: -92.469 bonds (distance) P-C4' energy: -95.104 flat angles C4'-P-C4' energy: -66.602 flat angles P-C4'-P energy: -56.923 tors. eta vs tors. theta energy: -94.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -743.838481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.838481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.838481 (E_RNA) where: Base-Base interactions energy: -443.475 where: short stacking energy: -204.535 Base-Backbone interact. energy: 2.187 local terms energy: -302.550839 where: bonds (distance) C4'-P energy: -72.817 bonds (distance) P-C4' energy: -85.356 flat angles C4'-P-C4' energy: -69.142 flat angles P-C4'-P energy: -41.366 tors. eta vs tors. theta energy: -33.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1873.459368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.459368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.459368 (E_RNA) where: Base-Base interactions energy: -1300.404 where: short stacking energy: -519.865 Base-Backbone interact. energy: -2.146 local terms energy: -570.909408 where: bonds (distance) C4'-P energy: -106.797 bonds (distance) P-C4' energy: -95.820 flat angles C4'-P-C4' energy: -118.824 flat angles P-C4'-P energy: -86.822 tors. eta vs tors. theta energy: -162.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1757.993244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.993244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.993244 (E_RNA) where: Base-Base interactions energy: -1239.800 where: short stacking energy: -486.994 Base-Backbone interact. energy: 0.905 local terms energy: -519.097633 where: bonds (distance) C4'-P energy: -98.717 bonds (distance) P-C4' energy: -88.267 flat angles C4'-P-C4' energy: -108.006 flat angles P-C4'-P energy: -70.945 tors. eta vs tors. theta energy: -153.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1760.120989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.120989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.120989 (E_RNA) where: Base-Base interactions energy: -1229.995 where: short stacking energy: -500.614 Base-Backbone interact. energy: 2.490 local terms energy: -532.615702 where: bonds (distance) C4'-P energy: -93.353 bonds (distance) P-C4' energy: -100.257 flat angles C4'-P-C4' energy: -100.149 flat angles P-C4'-P energy: -76.881 tors. eta vs tors. theta energy: -161.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1652.850869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.850869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.850869 (E_RNA) where: Base-Base interactions energy: -1136.025 where: short stacking energy: -485.090 Base-Backbone interact. energy: -1.513 local terms energy: -515.313018 where: bonds (distance) C4'-P energy: -96.913 bonds (distance) P-C4' energy: -89.535 flat angles C4'-P-C4' energy: -108.407 flat angles P-C4'-P energy: -73.302 tors. eta vs tors. theta energy: -147.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1527.840358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.840358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.840358 (E_RNA) where: Base-Base interactions energy: -1065.123 where: short stacking energy: -425.315 Base-Backbone interact. energy: 1.792 local terms energy: -464.509754 where: bonds (distance) C4'-P energy: -71.662 bonds (distance) P-C4' energy: -91.584 flat angles C4'-P-C4' energy: -108.595 flat angles P-C4'-P energy: -66.291 tors. eta vs tors. theta energy: -126.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1458.872198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.872198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.872198 (E_RNA) where: Base-Base interactions energy: -1008.558 where: short stacking energy: -395.596 Base-Backbone interact. energy: -1.181 local terms energy: -449.133622 where: bonds (distance) C4'-P energy: -78.418 bonds (distance) P-C4' energy: -92.241 flat angles C4'-P-C4' energy: -99.767 flat angles P-C4'-P energy: -66.039 tors. eta vs tors. theta energy: -112.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1333.665972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.665972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.665972 (E_RNA) where: Base-Base interactions energy: -926.529 where: short stacking energy: -393.425 Base-Backbone interact. energy: -1.838 local terms energy: -405.299444 where: bonds (distance) C4'-P energy: -82.560 bonds (distance) P-C4' energy: -69.858 flat angles C4'-P-C4' energy: -88.369 flat angles P-C4'-P energy: -65.871 tors. eta vs tors. theta energy: -98.641 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: 9 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1238.611519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.611519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.611519 (E_RNA) where: Base-Base interactions energy: -825.856 where: short stacking energy: -362.302 Base-Backbone interact. energy: -1.755 local terms energy: -411.001199 where: bonds (distance) C4'-P energy: -71.195 bonds (distance) P-C4' energy: -89.378 flat angles C4'-P-C4' energy: -96.750 flat angles P-C4'-P energy: -51.863 tors. eta vs tors. theta energy: -101.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -1149.387672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.387672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.387672 (E_RNA) where: Base-Base interactions energy: -771.761 where: short stacking energy: -317.149 Base-Backbone interact. energy: 0.456 local terms energy: -378.082409 where: bonds (distance) C4'-P energy: -75.632 bonds (distance) P-C4' energy: -76.940 flat angles C4'-P-C4' energy: -91.795 flat angles P-C4'-P energy: -52.403 tors. eta vs tors. theta energy: -81.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -760.701063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.701063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.701063 (E_RNA) where: Base-Base interactions energy: -457.095 where: short stacking energy: -205.954 Base-Backbone interact. energy: 3.007 local terms energy: -306.613281 where: bonds (distance) C4'-P energy: -66.962 bonds (distance) P-C4' energy: -76.580 flat angles C4'-P-C4' energy: -66.243 flat angles P-C4'-P energy: -51.532 tors. eta vs tors. theta energy: -45.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1867.452551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.452551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.452551 (E_RNA) where: Base-Base interactions energy: -1318.027 where: short stacking energy: -542.550 Base-Backbone interact. energy: -1.712 local terms energy: -547.713664 where: bonds (distance) C4'-P energy: -96.370 bonds (distance) P-C4' energy: -97.144 flat angles C4'-P-C4' energy: -118.828 flat angles P-C4'-P energy: -71.355 tors. eta vs tors. theta energy: -164.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1779.725507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.725507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.725507 (E_RNA) where: Base-Base interactions energy: -1248.004 where: short stacking energy: -523.586 Base-Backbone interact. energy: -1.113 local terms energy: -530.608746 where: bonds (distance) C4'-P energy: -93.089 bonds (distance) P-C4' energy: -91.933 flat angles C4'-P-C4' energy: -110.052 flat angles P-C4'-P energy: -82.707 tors. eta vs tors. theta energy: -152.828 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: 8 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1756.240342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.240342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.240342 (E_RNA) where: Base-Base interactions energy: -1209.104 where: short stacking energy: -489.869 Base-Backbone interact. energy: 0.122 local terms energy: -547.258765 where: bonds (distance) C4'-P energy: -91.110 bonds (distance) P-C4' energy: -107.872 flat angles C4'-P-C4' energy: -105.905 flat angles P-C4'-P energy: -87.317 tors. eta vs tors. theta energy: -155.054 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: 288 Temperature: 1.050000 Total energy: -1627.907394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.907394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.907394 (E_RNA) where: Base-Base interactions energy: -1127.141 where: short stacking energy: -465.413 Base-Backbone interact. energy: -1.729 local terms energy: -499.038058 where: bonds (distance) C4'-P energy: -89.364 bonds (distance) P-C4' energy: -92.121 flat angles C4'-P-C4' energy: -100.380 flat angles P-C4'-P energy: -71.725 tors. eta vs tors. theta energy: -145.448 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: 4 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1514.561079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.561079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.561079 (E_RNA) where: Base-Base interactions energy: -1051.715 where: short stacking energy: -434.885 Base-Backbone interact. energy: -2.408 local terms energy: -460.437524 where: bonds (distance) C4'-P energy: -81.127 bonds (distance) P-C4' energy: -96.386 flat angles C4'-P-C4' energy: -87.687 flat angles P-C4'-P energy: -68.680 tors. eta vs tors. theta energy: -126.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1469.341331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.341331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.341331 (E_RNA) where: Base-Base interactions energy: -1024.906 where: short stacking energy: -418.315 Base-Backbone interact. energy: -0.536 local terms energy: -443.899144 where: bonds (distance) C4'-P energy: -84.122 bonds (distance) P-C4' energy: -78.961 flat angles C4'-P-C4' energy: -93.484 flat angles P-C4'-P energy: -58.440 tors. eta vs tors. theta energy: -128.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1333.655157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.655157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.655157 (E_RNA) where: Base-Base interactions energy: -906.761 where: short stacking energy: -374.426 Base-Backbone interact. energy: 0.524 local terms energy: -427.417683 where: bonds (distance) C4'-P energy: -82.907 bonds (distance) P-C4' energy: -86.650 flat angles C4'-P-C4' energy: -94.168 flat angles P-C4'-P energy: -61.485 tors. eta vs tors. theta energy: -102.208 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: 8, replica: 9 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1221.190387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.190387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.190387 (E_RNA) where: Base-Base interactions energy: -799.815 where: short stacking energy: -334.888 Base-Backbone interact. energy: 2.219 local terms energy: -423.594218 where: bonds (distance) C4'-P energy: -82.786 bonds (distance) P-C4' energy: -91.787 flat angles C4'-P-C4' energy: -86.661 flat angles P-C4'-P energy: -66.414 tors. eta vs tors. theta energy: -95.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -1177.101043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.101043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.101043 (E_RNA) where: Base-Base interactions energy: -795.837 where: short stacking energy: -325.265 Base-Backbone interact. energy: 2.199 local terms energy: -383.462595 where: bonds (distance) C4'-P energy: -79.209 bonds (distance) P-C4' energy: -78.563 flat angles C4'-P-C4' energy: -82.045 flat angles P-C4'-P energy: -60.262 tors. eta vs tors. theta energy: -83.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -793.081214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.081214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.081214 (E_RNA) where: Base-Base interactions energy: -497.574 where: short stacking energy: -215.090 Base-Backbone interact. energy: 6.351 local terms energy: -301.858008 where: bonds (distance) C4'-P energy: -71.138 bonds (distance) P-C4' energy: -87.580 flat angles C4'-P-C4' energy: -65.191 flat angles P-C4'-P energy: -52.299 tors. eta vs tors. theta energy: -25.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1855.580716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.580716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.580716 (E_RNA) where: Base-Base interactions energy: -1312.573 where: short stacking energy: -528.962 Base-Backbone interact. energy: -3.128 local terms energy: -539.880100 where: bonds (distance) C4'-P energy: -91.581 bonds (distance) P-C4' energy: -94.548 flat angles C4'-P-C4' energy: -112.055 flat angles P-C4'-P energy: -75.983 tors. eta vs tors. theta energy: -165.714 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: 3 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1764.342337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.342337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.342337 (E_RNA) where: Base-Base interactions energy: -1248.306 where: short stacking energy: -483.622 Base-Backbone interact. energy: -0.720 local terms energy: -515.316167 where: bonds (distance) C4'-P energy: -88.969 bonds (distance) P-C4' energy: -91.189 flat angles C4'-P-C4' energy: -111.444 flat angles P-C4'-P energy: -76.455 tors. eta vs tors. theta energy: -147.259 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: 3, replica: 8 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1725.179462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.179462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.179462 (E_RNA) where: Base-Base interactions energy: -1206.344 where: short stacking energy: -475.513 Base-Backbone interact. energy: -0.729 local terms energy: -518.106319 where: bonds (distance) C4'-P energy: -97.785 bonds (distance) P-C4' energy: -102.903 flat angles C4'-P-C4' energy: -97.395 flat angles P-C4'-P energy: -72.607 tors. eta vs tors. theta energy: -147.417 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: 7 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1626.373521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.373521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.373521 (E_RNA) where: Base-Base interactions energy: -1113.415 where: short stacking energy: -469.891 Base-Backbone interact. energy: -1.610 local terms energy: -511.347929 where: bonds (distance) C4'-P energy: -98.334 bonds (distance) P-C4' energy: -90.850 flat angles C4'-P-C4' energy: -112.718 flat angles P-C4'-P energy: -53.821 tors. eta vs tors. theta energy: -155.624 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: 4 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1524.277366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.277366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.277366 (E_RNA) where: Base-Base interactions energy: -1075.095 where: short stacking energy: -441.506 Base-Backbone interact. energy: 0.742 local terms energy: -449.924187 where: bonds (distance) C4'-P energy: -85.941 bonds (distance) P-C4' energy: -79.128 flat angles C4'-P-C4' energy: -98.064 flat angles P-C4'-P energy: -58.575 tors. eta vs tors. theta energy: -128.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1471.078256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.078256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.078256 (E_RNA) where: Base-Base interactions energy: -1034.412 where: short stacking energy: -420.915 Base-Backbone interact. energy: -0.872 local terms energy: -435.793623 where: bonds (distance) C4'-P energy: -64.010 bonds (distance) P-C4' energy: -93.439 flat angles C4'-P-C4' energy: -90.343 flat angles P-C4'-P energy: -52.867 tors. eta vs tors. theta energy: -135.135 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: 6 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1332.538725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.538725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.538725 (E_RNA) where: Base-Base interactions energy: -902.925 where: short stacking energy: -383.530 Base-Backbone interact. energy: -0.987 local terms energy: -428.627433 where: bonds (distance) C4'-P energy: -74.594 bonds (distance) P-C4' energy: -86.591 flat angles C4'-P-C4' energy: -102.546 flat angles P-C4'-P energy: -68.902 tors. eta vs tors. theta energy: -95.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1203.812601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.812601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.812601 (E_RNA) where: Base-Base interactions energy: -810.190 where: short stacking energy: -340.849 Base-Backbone interact. energy: -0.949 local terms energy: -392.673315 where: bonds (distance) C4'-P energy: -80.442 bonds (distance) P-C4' energy: -84.584 flat angles C4'-P-C4' energy: -84.732 flat angles P-C4'-P energy: -54.923 tors. eta vs tors. theta energy: -87.991 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: 289 Temperature: 1.300000 Total energy: -1207.010355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.010355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.010355 (E_RNA) where: Base-Base interactions energy: -793.612 where: short stacking energy: -348.097 Base-Backbone interact. energy: 3.006 local terms energy: -416.404213 where: bonds (distance) C4'-P energy: -76.464 bonds (distance) P-C4' energy: -95.896 flat angles C4'-P-C4' energy: -82.749 flat angles P-C4'-P energy: -63.771 tors. eta vs tors. theta energy: -97.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -759.072986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.072986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.072986 (E_RNA) where: Base-Base interactions energy: -474.491 where: short stacking energy: -206.008 Base-Backbone interact. energy: -0.104 local terms energy: -284.478674 where: bonds (distance) C4'-P energy: -57.427 bonds (distance) P-C4' energy: -65.209 flat angles C4'-P-C4' energy: -86.903 flat angles P-C4'-P energy: -50.797 tors. eta vs tors. theta energy: -24.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1863.988317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.988317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.988317 (E_RNA) where: Base-Base interactions energy: -1293.644 where: short stacking energy: -534.554 Base-Backbone interact. energy: -1.527 local terms energy: -568.816406 where: bonds (distance) C4'-P energy: -112.157 bonds (distance) P-C4' energy: -88.122 flat angles C4'-P-C4' energy: -115.971 flat angles P-C4'-P energy: -81.562 tors. eta vs tors. theta energy: -171.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1766.842715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.842715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.842715 (E_RNA) where: Base-Base interactions energy: -1237.851 where: short stacking energy: -508.652 Base-Backbone interact. energy: 0.409 local terms energy: -529.400660 where: bonds (distance) C4'-P energy: -92.439 bonds (distance) P-C4' energy: -96.102 flat angles C4'-P-C4' energy: -117.206 flat angles P-C4'-P energy: -76.931 tors. eta vs tors. theta energy: -146.723 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: 8 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1715.859642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.859642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.859642 (E_RNA) where: Base-Base interactions energy: -1174.344 where: short stacking energy: -483.784 Base-Backbone interact. energy: -0.663 local terms energy: -540.853230 where: bonds (distance) C4'-P energy: -100.794 bonds (distance) P-C4' energy: -91.526 flat angles C4'-P-C4' energy: -117.177 flat angles P-C4'-P energy: -89.817 tors. eta vs tors. theta energy: -141.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1626.179010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.179010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.179010 (E_RNA) where: Base-Base interactions energy: -1118.584 where: short stacking energy: -461.898 Base-Backbone interact. energy: -2.090 local terms energy: -505.505214 where: bonds (distance) C4'-P energy: -92.123 bonds (distance) P-C4' energy: -94.951 flat angles C4'-P-C4' energy: -99.329 flat angles P-C4'-P energy: -66.547 tors. eta vs tors. theta energy: -152.555 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: 4 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1496.163712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.163712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.163712 (E_RNA) where: Base-Base interactions energy: -1036.457 where: short stacking energy: -430.992 Base-Backbone interact. energy: -0.259 local terms energy: -459.447082 where: bonds (distance) C4'-P energy: -85.524 bonds (distance) P-C4' energy: -73.934 flat angles C4'-P-C4' energy: -91.531 flat angles P-C4'-P energy: -77.796 tors. eta vs tors. theta energy: -130.662 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: 1 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1489.677397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.677397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.677397 (E_RNA) where: Base-Base interactions energy: -1063.857 where: short stacking energy: -424.273 Base-Backbone interact. energy: -1.738 local terms energy: -424.082439 where: bonds (distance) C4'-P energy: -70.036 bonds (distance) P-C4' energy: -75.352 flat angles C4'-P-C4' energy: -91.197 flat angles P-C4'-P energy: -63.552 tors. eta vs tors. theta energy: -123.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1322.184941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.184941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.184941 (E_RNA) where: Base-Base interactions energy: -885.525 where: short stacking energy: -363.949 Base-Backbone interact. energy: -0.405 local terms energy: -436.254894 where: bonds (distance) C4'-P energy: -83.611 bonds (distance) P-C4' energy: -80.473 flat angles C4'-P-C4' energy: -96.243 flat angles P-C4'-P energy: -69.120 tors. eta vs tors. theta energy: -106.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1193.329490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.329490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.329490 (E_RNA) where: Base-Base interactions energy: -795.805 where: short stacking energy: -331.922 Base-Backbone interact. energy: 0.518 local terms energy: -398.042266 where: bonds (distance) C4'-P energy: -83.914 bonds (distance) P-C4' energy: -84.406 flat angles C4'-P-C4' energy: -86.415 flat angles P-C4'-P energy: -57.620 tors. eta vs tors. theta energy: -85.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -1170.054732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.054732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.054732 (E_RNA) where: Base-Base interactions energy: -798.245 where: short stacking energy: -334.413 Base-Backbone interact. energy: 1.179 local terms energy: -372.988333 where: bonds (distance) C4'-P energy: -81.874 bonds (distance) P-C4' energy: -76.090 flat angles C4'-P-C4' energy: -82.022 flat angles P-C4'-P energy: -47.804 tors. eta vs tors. theta energy: -85.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -742.093351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.093351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.093351 (E_RNA) where: Base-Base interactions energy: -443.412 where: short stacking energy: -195.709 Base-Backbone interact. energy: -0.787 local terms energy: -297.894347 where: bonds (distance) C4'-P energy: -87.523 bonds (distance) P-C4' energy: -65.305 flat angles C4'-P-C4' energy: -85.148 flat angles P-C4'-P energy: -41.827 tors. eta vs tors. theta energy: -18.091 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: 2 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1838.218314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.218314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.218314 (E_RNA) where: Base-Base interactions energy: -1283.996 where: short stacking energy: -510.379 Base-Backbone interact. energy: -1.609 local terms energy: -552.614033 where: bonds (distance) C4'-P energy: -109.632 bonds (distance) P-C4' energy: -101.680 flat angles C4'-P-C4' energy: -113.997 flat angles P-C4'-P energy: -68.919 tors. eta vs tors. theta energy: -158.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1796.402635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.402635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.402635 (E_RNA) where: Base-Base interactions energy: -1244.571 where: short stacking energy: -512.692 Base-Backbone interact. energy: -0.899 local terms energy: -550.933361 where: bonds (distance) C4'-P energy: -100.460 bonds (distance) P-C4' energy: -93.164 flat angles C4'-P-C4' energy: -120.072 flat angles P-C4'-P energy: -81.321 tors. eta vs tors. theta energy: -155.916 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: 3, replica: 8 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1724.961140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.961140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.961140 (E_RNA) where: Base-Base interactions energy: -1189.744 where: short stacking energy: -494.143 Base-Backbone interact. energy: -1.207 local terms energy: -534.009670 where: bonds (distance) C4'-P energy: -99.545 bonds (distance) P-C4' energy: -87.683 flat angles C4'-P-C4' energy: -112.982 flat angles P-C4'-P energy: -78.661 tors. eta vs tors. theta energy: -155.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1627.175658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.175658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.175658 (E_RNA) where: Base-Base interactions energy: -1133.780 where: short stacking energy: -457.938 Base-Backbone interact. energy: -1.924 local terms energy: -491.472098 where: bonds (distance) C4'-P energy: -89.226 bonds (distance) P-C4' energy: -94.457 flat angles C4'-P-C4' energy: -104.397 flat angles P-C4'-P energy: -65.735 tors. eta vs tors. theta energy: -137.658 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: 4 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1492.028144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.028144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.028144 (E_RNA) where: Base-Base interactions energy: -1025.679 where: short stacking energy: -436.327 Base-Backbone interact. energy: -0.287 local terms energy: -466.062801 where: bonds (distance) C4'-P energy: -85.020 bonds (distance) P-C4' energy: -94.627 flat angles C4'-P-C4' energy: -95.025 flat angles P-C4'-P energy: -65.650 tors. eta vs tors. theta energy: -125.742 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: 1 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1508.066598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.066598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.066598 (E_RNA) where: Base-Base interactions energy: -1054.375 where: short stacking energy: -410.482 Base-Backbone interact. energy: -1.139 local terms energy: -452.552801 where: bonds (distance) C4'-P energy: -88.945 bonds (distance) P-C4' energy: -87.178 flat angles C4'-P-C4' energy: -86.321 flat angles P-C4'-P energy: -63.739 tors. eta vs tors. theta energy: -126.370 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: 6 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1315.901031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.901031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.901031 (E_RNA) where: Base-Base interactions energy: -883.667 where: short stacking energy: -365.081 Base-Backbone interact. energy: -1.459 local terms energy: -430.775243 where: bonds (distance) C4'-P energy: -77.865 bonds (distance) P-C4' energy: -76.177 flat angles C4'-P-C4' energy: -100.710 flat angles P-C4'-P energy: -71.036 tors. eta vs tors. theta energy: -104.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1224.869431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.869431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.869431 (E_RNA) where: Base-Base interactions energy: -818.205 where: short stacking energy: -353.365 Base-Backbone interact. energy: 0.117 local terms energy: -406.781326 where: bonds (distance) C4'-P energy: -88.749 bonds (distance) P-C4' energy: -85.726 flat angles C4'-P-C4' energy: -83.662 flat angles P-C4'-P energy: -57.818 tors. eta vs tors. theta energy: -90.827 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: 5 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -1177.811962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.811962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.811962 (E_RNA) where: Base-Base interactions energy: -798.006 where: short stacking energy: -318.909 Base-Backbone interact. energy: -0.137 local terms energy: -379.668482 where: bonds (distance) C4'-P energy: -76.772 bonds (distance) P-C4' energy: -85.626 flat angles C4'-P-C4' energy: -76.721 flat angles P-C4'-P energy: -50.391 tors. eta vs tors. theta energy: -90.159 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: 10 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -774.276676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.276676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.276676 (E_RNA) where: Base-Base interactions energy: -453.448 where: short stacking energy: -200.658 Base-Backbone interact. energy: -0.706 local terms energy: -320.123154 where: bonds (distance) C4'-P energy: -80.827 bonds (distance) P-C4' energy: -81.594 flat angles C4'-P-C4' energy: -70.331 flat angles P-C4'-P energy: -50.738 tors. eta vs tors. theta energy: -36.633 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: 3 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1813.808162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.808162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.808162 (E_RNA) where: Base-Base interactions energy: -1267.111 where: short stacking energy: -519.110 Base-Backbone interact. energy: -0.756 local terms energy: -545.941969 where: bonds (distance) C4'-P energy: -100.673 bonds (distance) P-C4' energy: -95.584 flat angles C4'-P-C4' energy: -112.239 flat angles P-C4'-P energy: -83.404 tors. eta vs tors. theta energy: -154.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1827.818275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.818275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.818275 (E_RNA) where: Base-Base interactions energy: -1286.118 where: short stacking energy: -504.908 Base-Backbone interact. energy: -2.298 local terms energy: -539.402061 where: bonds (distance) C4'-P energy: -99.574 bonds (distance) P-C4' energy: -101.224 flat angles C4'-P-C4' energy: -111.849 flat angles P-C4'-P energy: -72.378 tors. eta vs tors. theta energy: -154.378 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: 8 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1751.640898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.640898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.640898 (E_RNA) where: Base-Base interactions energy: -1250.072 where: short stacking energy: -503.214 Base-Backbone interact. energy: -1.475 local terms energy: -500.093391 where: bonds (distance) C4'-P energy: -93.614 bonds (distance) P-C4' energy: -87.028 flat angles C4'-P-C4' energy: -97.994 flat angles P-C4'-P energy: -71.791 tors. eta vs tors. theta energy: -149.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1642.083574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.083574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.083574 (E_RNA) where: Base-Base interactions energy: -1134.982 where: short stacking energy: -464.606 Base-Backbone interact. energy: 3.713 local terms energy: -510.815299 where: bonds (distance) C4'-P energy: -87.275 bonds (distance) P-C4' energy: -95.602 flat angles C4'-P-C4' energy: -105.476 flat angles P-C4'-P energy: -73.054 tors. eta vs tors. theta energy: -149.409 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: 4 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1532.463862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.463862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.463862 (E_RNA) where: Base-Base interactions energy: -1066.092 where: short stacking energy: -436.690 Base-Backbone interact. energy: -1.173 local terms energy: -465.199274 where: bonds (distance) C4'-P energy: -80.579 bonds (distance) P-C4' energy: -77.050 flat angles C4'-P-C4' energy: -101.155 flat angles P-C4'-P energy: -72.074 tors. eta vs tors. theta energy: -134.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1488.426324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.426324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.426324 (E_RNA) where: Base-Base interactions energy: -1044.656 where: short stacking energy: -407.700 Base-Backbone interact. energy: 0.306 local terms energy: -444.076536 where: bonds (distance) C4'-P energy: -84.960 bonds (distance) P-C4' energy: -88.473 flat angles C4'-P-C4' energy: -93.386 flat angles P-C4'-P energy: -69.068 tors. eta vs tors. theta energy: -108.191 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: 292 Temperature: 1.200000 Total energy: -1335.884751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.884751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.884751 (E_RNA) where: Base-Base interactions energy: -903.820 where: short stacking energy: -380.720 Base-Backbone interact. energy: 0.682 local terms energy: -432.746636 where: bonds (distance) C4'-P energy: -80.312 bonds (distance) P-C4' energy: -84.635 flat angles C4'-P-C4' energy: -97.262 flat angles P-C4'-P energy: -62.905 tors. eta vs tors. theta energy: -107.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1267.060992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.060992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.060992 (E_RNA) where: Base-Base interactions energy: -854.326 where: short stacking energy: -369.873 Base-Backbone interact. energy: -0.196 local terms energy: -412.538950 where: bonds (distance) C4'-P energy: -85.033 bonds (distance) P-C4' energy: -86.175 flat angles C4'-P-C4' energy: -92.476 flat angles P-C4'-P energy: -50.888 tors. eta vs tors. theta energy: -97.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -1203.466254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.466254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.466254 (E_RNA) where: Base-Base interactions energy: -813.428 where: short stacking energy: -336.790 Base-Backbone interact. energy: -1.922 local terms energy: -388.116738 where: bonds (distance) C4'-P energy: -79.238 bonds (distance) P-C4' energy: -80.543 flat angles C4'-P-C4' energy: -84.874 flat angles P-C4'-P energy: -56.758 tors. eta vs tors. theta energy: -86.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -769.092613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.092613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.092613 (E_RNA) where: Base-Base interactions energy: -457.586 where: short stacking energy: -209.315 Base-Backbone interact. energy: 1.753 local terms energy: -313.259891 where: bonds (distance) C4'-P energy: -81.729 bonds (distance) P-C4' energy: -78.252 flat angles C4'-P-C4' energy: -72.683 flat angles P-C4'-P energy: -58.949 tors. eta vs tors. theta energy: -21.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1812.849387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.849387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.849387 (E_RNA) where: Base-Base interactions energy: -1278.152 where: short stacking energy: -507.283 Base-Backbone interact. energy: 1.811 local terms energy: -536.508479 where: bonds (distance) C4'-P energy: -95.297 bonds (distance) P-C4' energy: -94.836 flat angles C4'-P-C4' energy: -109.442 flat angles P-C4'-P energy: -79.231 tors. eta vs tors. theta energy: -157.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1823.931207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.931207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.931207 (E_RNA) where: Base-Base interactions energy: -1284.790 where: short stacking energy: -515.842 Base-Backbone interact. energy: 0.360 local terms energy: -539.501232 where: bonds (distance) C4'-P energy: -87.215 bonds (distance) P-C4' energy: -95.552 flat angles C4'-P-C4' energy: -112.695 flat angles P-C4'-P energy: -86.052 tors. eta vs tors. theta energy: -157.986 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: 8 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1735.126511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.126511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.126511 (E_RNA) where: Base-Base interactions energy: -1207.688 where: short stacking energy: -491.511 Base-Backbone interact. energy: -0.613 local terms energy: -526.825561 where: bonds (distance) C4'-P energy: -88.257 bonds (distance) P-C4' energy: -97.034 flat angles C4'-P-C4' energy: -113.294 flat angles P-C4'-P energy: -72.224 tors. eta vs tors. theta energy: -156.016 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: 7 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1616.380177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.380177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.380177 (E_RNA) where: Base-Base interactions energy: -1113.927 where: short stacking energy: -459.618 Base-Backbone interact. energy: 3.901 local terms energy: -506.354000 where: bonds (distance) C4'-P energy: -89.621 bonds (distance) P-C4' energy: -81.477 flat angles C4'-P-C4' energy: -108.332 flat angles P-C4'-P energy: -79.916 tors. eta vs tors. theta energy: -147.008 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: 4 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -1533.247113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.247113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.247113 (E_RNA) where: Base-Base interactions energy: -1071.297 where: short stacking energy: -433.960 Base-Backbone interact. energy: -0.832 local terms energy: -461.118547 where: bonds (distance) C4'-P energy: -81.863 bonds (distance) P-C4' energy: -71.727 flat angles C4'-P-C4' energy: -113.842 flat angles P-C4'-P energy: -63.849 tors. eta vs tors. theta energy: -129.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1488.814938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.814938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.814938 (E_RNA) where: Base-Base interactions energy: -1038.056 where: short stacking energy: -428.944 Base-Backbone interact. energy: 1.032 local terms energy: -451.791276 where: bonds (distance) C4'-P energy: -71.272 bonds (distance) P-C4' energy: -90.718 flat angles C4'-P-C4' energy: -102.060 flat angles P-C4'-P energy: -59.315 tors. eta vs tors. theta energy: -128.427 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: 6 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1335.261733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.261733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.261733 (E_RNA) where: Base-Base interactions energy: -903.911 where: short stacking energy: -374.026 Base-Backbone interact. energy: 4.903 local terms energy: -436.254001 where: bonds (distance) C4'-P energy: -82.791 bonds (distance) P-C4' energy: -88.825 flat angles C4'-P-C4' energy: -92.388 flat angles P-C4'-P energy: -64.512 tors. eta vs tors. theta energy: -107.738 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: 8, replica: 9 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1239.967106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.967106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.967106 (E_RNA) where: Base-Base interactions energy: -834.363 where: short stacking energy: -346.834 Base-Backbone interact. energy: -2.393 local terms energy: -403.211189 where: bonds (distance) C4'-P energy: -80.604 bonds (distance) P-C4' energy: -80.573 flat angles C4'-P-C4' energy: -91.180 flat angles P-C4'-P energy: -52.513 tors. eta vs tors. theta energy: -98.342 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: 5 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -1226.209802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.209802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.209802 (E_RNA) where: Base-Base interactions energy: -843.012 where: short stacking energy: -339.656 Base-Backbone interact. energy: -1.449 local terms energy: -381.749345 where: bonds (distance) C4'-P energy: -67.315 bonds (distance) P-C4' energy: -81.636 flat angles C4'-P-C4' energy: -84.866 flat angles P-C4'-P energy: -58.639 tors. eta vs tors. theta energy: -89.294 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: 10 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -748.801516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.801516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.801516 (E_RNA) where: Base-Base interactions energy: -442.222 where: short stacking energy: -206.897 Base-Backbone interact. energy: 1.579 local terms energy: -308.158849 where: bonds (distance) C4'-P energy: -84.542 bonds (distance) P-C4' energy: -86.528 flat angles C4'-P-C4' energy: -75.134 flat angles P-C4'-P energy: -34.415 tors. eta vs tors. theta energy: -27.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1874.402198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.402198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.402198 (E_RNA) where: Base-Base interactions energy: -1321.970 where: short stacking energy: -545.281 Base-Backbone interact. energy: -2.143 local terms energy: -550.289460 where: bonds (distance) C4'-P energy: -91.858 bonds (distance) P-C4' energy: -94.415 flat angles C4'-P-C4' energy: -112.617 flat angles P-C4'-P energy: -85.798 tors. eta vs tors. theta energy: -165.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1783.148599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.148599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.148599 (E_RNA) where: Base-Base interactions energy: -1259.643 where: short stacking energy: -497.825 Base-Backbone interact. energy: -1.784 local terms energy: -521.721669 where: bonds (distance) C4'-P energy: -99.922 bonds (distance) P-C4' energy: -87.933 flat angles C4'-P-C4' energy: -108.145 flat angles P-C4'-P energy: -81.808 tors. eta vs tors. theta energy: -143.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1739.565243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.565243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.565243 (E_RNA) where: Base-Base interactions energy: -1232.039 where: short stacking energy: -505.475 Base-Backbone interact. energy: 0.132 local terms energy: -507.657885 where: bonds (distance) C4'-P energy: -85.301 bonds (distance) P-C4' energy: -88.488 flat angles C4'-P-C4' energy: -112.342 flat angles P-C4'-P energy: -68.244 tors. eta vs tors. theta energy: -153.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1637.032901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.032901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.032901 (E_RNA) where: Base-Base interactions energy: -1139.490 where: short stacking energy: -479.206 Base-Backbone interact. energy: -0.804 local terms energy: -496.739335 where: bonds (distance) C4'-P energy: -80.893 bonds (distance) P-C4' energy: -92.852 flat angles C4'-P-C4' energy: -102.782 flat angles P-C4'-P energy: -67.874 tors. eta vs tors. theta energy: -152.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1539.603013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.603013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.603013 (E_RNA) where: Base-Base interactions energy: -1077.323 where: short stacking energy: -444.634 Base-Backbone interact. energy: -0.644 local terms energy: -461.635664 where: bonds (distance) C4'-P energy: -84.525 bonds (distance) P-C4' energy: -87.173 flat angles C4'-P-C4' energy: -100.168 flat angles P-C4'-P energy: -62.853 tors. eta vs tors. theta energy: -126.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1484.054641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.054641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.054641 (E_RNA) where: Base-Base interactions energy: -1000.810 where: short stacking energy: -414.383 Base-Backbone interact. energy: -1.370 local terms energy: -481.874497 where: bonds (distance) C4'-P energy: -85.084 bonds (distance) P-C4' energy: -81.520 flat angles C4'-P-C4' energy: -99.640 flat angles P-C4'-P energy: -80.996 tors. eta vs tors. theta energy: -134.634 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: 294 Temperature: 1.200000 Total energy: -1342.374824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.374824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.374824 (E_RNA) where: Base-Base interactions energy: -912.315 where: short stacking energy: -380.288 Base-Backbone interact. energy: 1.140 local terms energy: -431.200236 where: bonds (distance) C4'-P energy: -65.387 bonds (distance) P-C4' energy: -95.402 flat angles C4'-P-C4' energy: -103.409 flat angles P-C4'-P energy: -62.917 tors. eta vs tors. theta energy: -104.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1181.269258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.269258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.269258 (E_RNA) where: Base-Base interactions energy: -784.920 where: short stacking energy: -328.947 Base-Backbone interact. energy: -0.492 local terms energy: -395.857105 where: bonds (distance) C4'-P energy: -83.319 bonds (distance) P-C4' energy: -67.053 flat angles C4'-P-C4' energy: -90.261 flat angles P-C4'-P energy: -62.350 tors. eta vs tors. theta energy: -92.874 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: 5 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -1200.933533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.933533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.933533 (E_RNA) where: Base-Base interactions energy: -797.691 where: short stacking energy: -344.575 Base-Backbone interact. energy: -1.768 local terms energy: -401.474826 where: bonds (distance) C4'-P energy: -75.494 bonds (distance) P-C4' energy: -77.289 flat angles C4'-P-C4' energy: -94.556 flat angles P-C4'-P energy: -59.317 tors. eta vs tors. theta energy: -94.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -809.627816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.627816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.627816 (E_RNA) where: Base-Base interactions energy: -495.153 where: short stacking energy: -213.018 Base-Backbone interact. energy: 1.319 local terms energy: -315.793823 where: bonds (distance) C4'-P energy: -80.685 bonds (distance) P-C4' energy: -70.773 flat angles C4'-P-C4' energy: -75.958 flat angles P-C4'-P energy: -56.674 tors. eta vs tors. theta energy: -31.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1855.579380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.579380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.579380 (E_RNA) where: Base-Base interactions energy: -1310.562 where: short stacking energy: -527.206 Base-Backbone interact. energy: -2.426 local terms energy: -542.591719 where: bonds (distance) C4'-P energy: -100.680 bonds (distance) P-C4' energy: -91.320 flat angles C4'-P-C4' energy: -114.617 flat angles P-C4'-P energy: -71.579 tors. eta vs tors. theta energy: -164.396 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: 3 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1773.914932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.914932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.914932 (E_RNA) where: Base-Base interactions energy: -1256.656 where: short stacking energy: -491.309 Base-Backbone interact. energy: 3.696 local terms energy: -520.955161 where: bonds (distance) C4'-P energy: -82.164 bonds (distance) P-C4' energy: -95.285 flat angles C4'-P-C4' energy: -112.489 flat angles P-C4'-P energy: -76.608 tors. eta vs tors. theta energy: -154.408 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: 8 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1734.460707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.460707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.460707 (E_RNA) where: Base-Base interactions energy: -1217.184 where: short stacking energy: -501.782 Base-Backbone interact. energy: -1.731 local terms energy: -515.545475 where: bonds (distance) C4'-P energy: -85.315 bonds (distance) P-C4' energy: -89.812 flat angles C4'-P-C4' energy: -112.675 flat angles P-C4'-P energy: -80.679 tors. eta vs tors. theta energy: -147.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1664.449430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.449430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.449430 (E_RNA) where: Base-Base interactions energy: -1134.454 where: short stacking energy: -474.598 Base-Backbone interact. energy: -1.161 local terms energy: -528.834346 where: bonds (distance) C4'-P energy: -98.765 bonds (distance) P-C4' energy: -89.874 flat angles C4'-P-C4' energy: -111.057 flat angles P-C4'-P energy: -74.194 tors. eta vs tors. theta energy: -154.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1512.100665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.100665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.100665 (E_RNA) where: Base-Base interactions energy: -1045.770 where: short stacking energy: -429.827 Base-Backbone interact. energy: 2.174 local terms energy: -468.504418 where: bonds (distance) C4'-P energy: -77.403 bonds (distance) P-C4' energy: -92.707 flat angles C4'-P-C4' energy: -108.601 flat angles P-C4'-P energy: -60.684 tors. eta vs tors. theta energy: -129.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1486.603069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.603069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.603069 (E_RNA) where: Base-Base interactions energy: -1018.005 where: short stacking energy: -421.504 Base-Backbone interact. energy: 1.716 local terms energy: -470.313734 where: bonds (distance) C4'-P energy: -75.555 bonds (distance) P-C4' energy: -96.981 flat angles C4'-P-C4' energy: -100.966 flat angles P-C4'-P energy: -62.346 tors. eta vs tors. theta energy: -134.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1291.948156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.948156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.948156 (E_RNA) where: Base-Base interactions energy: -883.868 where: short stacking energy: -363.729 Base-Backbone interact. energy: -0.341 local terms energy: -407.738551 where: bonds (distance) C4'-P energy: -70.403 bonds (distance) P-C4' energy: -92.956 flat angles C4'-P-C4' energy: -76.112 flat angles P-C4'-P energy: -64.201 tors. eta vs tors. theta energy: -104.066 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: 9 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1214.780012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.780012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.780012 (E_RNA) where: Base-Base interactions energy: -793.402 where: short stacking energy: -325.441 Base-Backbone interact. energy: -2.880 local terms energy: -418.498088 where: bonds (distance) C4'-P energy: -84.235 bonds (distance) P-C4' energy: -85.067 flat angles C4'-P-C4' energy: -100.514 flat angles P-C4'-P energy: -61.027 tors. eta vs tors. theta energy: -87.654 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: 295 Temperature: 1.300000 Total energy: -1187.446272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.446272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.446272 (E_RNA) where: Base-Base interactions energy: -786.678 where: short stacking energy: -343.673 Base-Backbone interact. energy: 0.985 local terms energy: -401.753314 where: bonds (distance) C4'-P energy: -74.151 bonds (distance) P-C4' energy: -80.687 flat angles C4'-P-C4' energy: -89.435 flat angles P-C4'-P energy: -65.100 tors. eta vs tors. theta energy: -92.380 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: 10 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -782.522342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.522342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.522342 (E_RNA) where: Base-Base interactions energy: -461.138 where: short stacking energy: -196.437 Base-Backbone interact. energy: -2.116 local terms energy: -319.267401 where: bonds (distance) C4'-P energy: -74.996 bonds (distance) P-C4' energy: -83.184 flat angles C4'-P-C4' energy: -76.067 flat angles P-C4'-P energy: -59.891 tors. eta vs tors. theta energy: -25.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1866.374385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.374385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.374385 (E_RNA) where: Base-Base interactions energy: -1303.110 where: short stacking energy: -525.946 Base-Backbone interact. energy: -1.098 local terms energy: -562.165715 where: bonds (distance) C4'-P energy: -101.709 bonds (distance) P-C4' energy: -96.908 flat angles C4'-P-C4' energy: -117.208 flat angles P-C4'-P energy: -84.823 tors. eta vs tors. theta energy: -161.517 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: 2, replica: 3 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1779.342879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.342879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.342879 (E_RNA) where: Base-Base interactions energy: -1240.059 where: short stacking energy: -491.708 Base-Backbone interact. energy: 0.573 local terms energy: -539.856274 where: bonds (distance) C4'-P energy: -100.291 bonds (distance) P-C4' energy: -103.349 flat angles C4'-P-C4' energy: -109.751 flat angles P-C4'-P energy: -70.032 tors. eta vs tors. theta energy: -156.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1722.232264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.232264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.232264 (E_RNA) where: Base-Base interactions energy: -1202.746 where: short stacking energy: -490.552 Base-Backbone interact. energy: -2.128 local terms energy: -517.357802 where: bonds (distance) C4'-P energy: -94.281 bonds (distance) P-C4' energy: -96.612 flat angles C4'-P-C4' energy: -106.707 flat angles P-C4'-P energy: -69.502 tors. eta vs tors. theta energy: -150.256 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: 7 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1682.461357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.461357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.461357 (E_RNA) where: Base-Base interactions energy: -1165.438 where: short stacking energy: -489.439 Base-Backbone interact. energy: 1.222 local terms energy: -518.245433 where: bonds (distance) C4'-P energy: -88.203 bonds (distance) P-C4' energy: -89.109 flat angles C4'-P-C4' energy: -117.380 flat angles P-C4'-P energy: -74.813 tors. eta vs tors. theta energy: -148.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1522.960942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.960942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.960942 (E_RNA) where: Base-Base interactions energy: -1055.306 where: short stacking energy: -423.649 Base-Backbone interact. energy: 3.909 local terms energy: -471.564120 where: bonds (distance) C4'-P energy: -79.116 bonds (distance) P-C4' energy: -91.521 flat angles C4'-P-C4' energy: -102.248 flat angles P-C4'-P energy: -68.348 tors. eta vs tors. theta energy: -130.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1464.573005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.573005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.573005 (E_RNA) where: Base-Base interactions energy: -1024.129 where: short stacking energy: -427.656 Base-Backbone interact. energy: -0.212 local terms energy: -440.231961 where: bonds (distance) C4'-P energy: -67.462 bonds (distance) P-C4' energy: -75.420 flat angles C4'-P-C4' energy: -101.323 flat angles P-C4'-P energy: -66.406 tors. eta vs tors. theta energy: -129.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1328.550402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.550402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.550402 (E_RNA) where: Base-Base interactions energy: -901.441 where: short stacking energy: -365.924 Base-Backbone interact. energy: -1.782 local terms energy: -425.327302 where: bonds (distance) C4'-P energy: -79.734 bonds (distance) P-C4' energy: -87.993 flat angles C4'-P-C4' energy: -93.447 flat angles P-C4'-P energy: -67.124 tors. eta vs tors. theta energy: -97.028 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: 9 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1208.720158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.720158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.720158 (E_RNA) where: Base-Base interactions energy: -825.311 where: short stacking energy: -316.058 Base-Backbone interact. energy: 0.351 local terms energy: -383.761098 where: bonds (distance) C4'-P energy: -75.373 bonds (distance) P-C4' energy: -90.445 flat angles C4'-P-C4' energy: -79.932 flat angles P-C4'-P energy: -58.694 tors. eta vs tors. theta energy: -79.317 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: 296 Temperature: 1.300000 Total energy: -1154.487615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.487615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.487615 (E_RNA) where: Base-Base interactions energy: -781.869 where: short stacking energy: -319.518 Base-Backbone interact. energy: 1.210 local terms energy: -373.828210 where: bonds (distance) C4'-P energy: -80.539 bonds (distance) P-C4' energy: -70.281 flat angles C4'-P-C4' energy: -92.932 flat angles P-C4'-P energy: -48.767 tors. eta vs tors. theta energy: -81.310 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: 10 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -746.763423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.763423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.763423 (E_RNA) where: Base-Base interactions energy: -448.612 where: short stacking energy: -206.556 Base-Backbone interact. energy: -1.150 local terms energy: -297.001867 where: bonds (distance) C4'-P energy: -77.725 bonds (distance) P-C4' energy: -80.656 flat angles C4'-P-C4' energy: -74.274 flat angles P-C4'-P energy: -38.955 tors. eta vs tors. theta energy: -25.391 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: 2 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1871.829624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.829624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.829624 (E_RNA) where: Base-Base interactions energy: -1327.161 where: short stacking energy: -527.667 Base-Backbone interact. energy: -2.460 local terms energy: -542.208150 where: bonds (distance) C4'-P energy: -95.129 bonds (distance) P-C4' energy: -89.357 flat angles C4'-P-C4' energy: -110.762 flat angles P-C4'-P energy: -83.286 tors. eta vs tors. theta energy: -163.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1790.987458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.987458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.987458 (E_RNA) where: Base-Base interactions energy: -1244.166 where: short stacking energy: -499.281 Base-Backbone interact. energy: -1.857 local terms energy: -544.964240 where: bonds (distance) C4'-P energy: -92.860 bonds (distance) P-C4' energy: -97.565 flat angles C4'-P-C4' energy: -115.539 flat angles P-C4'-P energy: -80.096 tors. eta vs tors. theta energy: -158.904 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: 3, replica: 8 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1714.634799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.634799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.634799 (E_RNA) where: Base-Base interactions energy: -1183.961 where: short stacking energy: -488.011 Base-Backbone interact. energy: 0.653 local terms energy: -531.327166 where: bonds (distance) C4'-P energy: -94.408 bonds (distance) P-C4' energy: -97.429 flat angles C4'-P-C4' energy: -109.048 flat angles P-C4'-P energy: -80.201 tors. eta vs tors. theta energy: -150.242 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: 7 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1641.676309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.676309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.676309 (E_RNA) where: Base-Base interactions energy: -1142.888 where: short stacking energy: -464.903 Base-Backbone interact. energy: -1.096 local terms energy: -497.692819 where: bonds (distance) C4'-P energy: -91.236 bonds (distance) P-C4' energy: -91.308 flat angles C4'-P-C4' energy: -98.598 flat angles P-C4'-P energy: -66.127 tors. eta vs tors. theta energy: -150.425 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: 5, replica: 1 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1517.163001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.163001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.163001 (E_RNA) where: Base-Base interactions energy: -1040.653 where: short stacking energy: -427.472 Base-Backbone interact. energy: -0.741 local terms energy: -475.768785 where: bonds (distance) C4'-P energy: -77.995 bonds (distance) P-C4' energy: -92.613 flat angles C4'-P-C4' energy: -103.067 flat angles P-C4'-P energy: -78.023 tors. eta vs tors. theta energy: -124.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1464.325405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.325405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.325405 (E_RNA) where: Base-Base interactions energy: -1037.090 where: short stacking energy: -423.517 Base-Backbone interact. energy: -1.807 local terms energy: -425.428358 where: bonds (distance) C4'-P energy: -84.778 bonds (distance) P-C4' energy: -79.421 flat angles C4'-P-C4' energy: -89.782 flat angles P-C4'-P energy: -57.698 tors. eta vs tors. theta energy: -113.750 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: 7, replica: 6 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1331.246937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.246937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.246937 (E_RNA) where: Base-Base interactions energy: -917.561 where: short stacking energy: -383.812 Base-Backbone interact. energy: -0.794 local terms energy: -412.892139 where: bonds (distance) C4'-P energy: -81.794 bonds (distance) P-C4' energy: -82.028 flat angles C4'-P-C4' energy: -84.128 flat angles P-C4'-P energy: -66.942 tors. eta vs tors. theta energy: -98.000 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: 5 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1204.238727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.238727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.238727 (E_RNA) where: Base-Base interactions energy: -803.930 where: short stacking energy: -346.755 Base-Backbone interact. energy: -0.609 local terms energy: -399.699838 where: bonds (distance) C4'-P energy: -81.135 bonds (distance) P-C4' energy: -73.869 flat angles C4'-P-C4' energy: -97.584 flat angles P-C4'-P energy: -53.750 tors. eta vs tors. theta energy: -93.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -1178.785366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.785366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.785366 (E_RNA) where: Base-Base interactions energy: -798.731 where: short stacking energy: -326.526 Base-Backbone interact. energy: -1.301 local terms energy: -378.752884 where: bonds (distance) C4'-P energy: -79.421 bonds (distance) P-C4' energy: -70.962 flat angles C4'-P-C4' energy: -81.259 flat angles P-C4'-P energy: -53.080 tors. eta vs tors. theta energy: -94.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -748.848813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.848813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.848813 (E_RNA) where: Base-Base interactions energy: -421.322 where: short stacking energy: -201.726 Base-Backbone interact. energy: -0.448 local terms energy: -327.079409 where: bonds (distance) C4'-P energy: -91.676 bonds (distance) P-C4' energy: -86.022 flat angles C4'-P-C4' energy: -76.817 flat angles P-C4'-P energy: -40.867 tors. eta vs tors. theta energy: -31.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1870.347679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.347679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.347679 (E_RNA) where: Base-Base interactions energy: -1317.764 where: short stacking energy: -536.850 Base-Backbone interact. energy: -0.204 local terms energy: -552.379633 where: bonds (distance) C4'-P energy: -99.260 bonds (distance) P-C4' energy: -87.076 flat angles C4'-P-C4' energy: -116.512 flat angles P-C4'-P energy: -81.205 tors. eta vs tors. theta energy: -168.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1820.559484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.559484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.559484 (E_RNA) where: Base-Base interactions energy: -1293.695 where: short stacking energy: -504.333 Base-Backbone interact. energy: 0.537 local terms energy: -527.400841 where: bonds (distance) C4'-P energy: -95.764 bonds (distance) P-C4' energy: -97.987 flat angles C4'-P-C4' energy: -109.407 flat angles P-C4'-P energy: -74.481 tors. eta vs tors. theta energy: -149.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1735.362262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.362262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.362262 (E_RNA) where: Base-Base interactions energy: -1192.382 where: short stacking energy: -477.149 Base-Backbone interact. energy: -1.488 local terms energy: -541.492098 where: bonds (distance) C4'-P energy: -97.522 bonds (distance) P-C4' energy: -101.475 flat angles C4'-P-C4' energy: -107.447 flat angles P-C4'-P energy: -76.595 tors. eta vs tors. theta energy: -158.452 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: 298 Temperature: 1.050000 Total energy: -1631.838548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.838548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.838548 (E_RNA) where: Base-Base interactions energy: -1137.062 where: short stacking energy: -465.712 Base-Backbone interact. energy: 0.183 local terms energy: -494.960027 where: bonds (distance) C4'-P energy: -91.108 bonds (distance) P-C4' energy: -90.854 flat angles C4'-P-C4' energy: -99.669 flat angles P-C4'-P energy: -69.388 tors. eta vs tors. theta energy: -143.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1520.979335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.979335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.979335 (E_RNA) where: Base-Base interactions energy: -1050.309 where: short stacking energy: -430.670 Base-Backbone interact. energy: -0.701 local terms energy: -469.969641 where: bonds (distance) C4'-P energy: -77.086 bonds (distance) P-C4' energy: -84.527 flat angles C4'-P-C4' energy: -105.383 flat angles P-C4'-P energy: -72.046 tors. eta vs tors. theta energy: -130.928 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: 4 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1478.766409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.766409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.766409 (E_RNA) where: Base-Base interactions energy: -1019.568 where: short stacking energy: -423.320 Base-Backbone interact. energy: -0.655 local terms energy: -458.543636 where: bonds (distance) C4'-P energy: -82.041 bonds (distance) P-C4' energy: -77.288 flat angles C4'-P-C4' energy: -103.680 flat angles P-C4'-P energy: -70.913 tors. eta vs tors. theta energy: -124.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1325.981092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.981092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.981092 (E_RNA) where: Base-Base interactions energy: -920.558 where: short stacking energy: -385.876 Base-Backbone interact. energy: -0.877 local terms energy: -404.546845 where: bonds (distance) C4'-P energy: -61.109 bonds (distance) P-C4' energy: -80.361 flat angles C4'-P-C4' energy: -97.934 flat angles P-C4'-P energy: -65.845 tors. eta vs tors. theta energy: -99.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1232.930962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.930962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.930962 (E_RNA) where: Base-Base interactions energy: -824.710 where: short stacking energy: -340.554 Base-Backbone interact. energy: -0.592 local terms energy: -407.628999 where: bonds (distance) C4'-P energy: -86.120 bonds (distance) P-C4' energy: -81.494 flat angles C4'-P-C4' energy: -87.405 flat angles P-C4'-P energy: -60.484 tors. eta vs tors. theta energy: -92.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -1159.763333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.763333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.763333 (E_RNA) where: Base-Base interactions energy: -783.367 where: short stacking energy: -322.323 Base-Backbone interact. energy: 3.029 local terms energy: -379.424781 where: bonds (distance) C4'-P energy: -68.568 bonds (distance) P-C4' energy: -83.887 flat angles C4'-P-C4' energy: -98.436 flat angles P-C4'-P energy: -47.832 tors. eta vs tors. theta energy: -80.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -763.987035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.987035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.987035 (E_RNA) where: Base-Base interactions energy: -480.177 where: short stacking energy: -227.245 Base-Backbone interact. energy: -3.250 local terms energy: -280.559862 where: bonds (distance) C4'-P energy: -66.285 bonds (distance) P-C4' energy: -87.378 flat angles C4'-P-C4' energy: -63.750 flat angles P-C4'-P energy: -31.377 tors. eta vs tors. theta energy: -31.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1865.652999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.652999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.652999 (E_RNA) where: Base-Base interactions energy: -1300.997 where: short stacking energy: -529.116 Base-Backbone interact. energy: -2.224 local terms energy: -562.431631 where: bonds (distance) C4'-P energy: -101.953 bonds (distance) P-C4' energy: -95.480 flat angles C4'-P-C4' energy: -107.788 flat angles P-C4'-P energy: -85.151 tors. eta vs tors. theta energy: -172.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1791.628800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.628800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.628800 (E_RNA) where: Base-Base interactions energy: -1251.040 where: short stacking energy: -489.713 Base-Backbone interact. energy: -2.103 local terms energy: -538.485979 where: bonds (distance) C4'-P energy: -100.254 bonds (distance) P-C4' energy: -105.396 flat angles C4'-P-C4' energy: -110.057 flat angles P-C4'-P energy: -70.497 tors. eta vs tors. theta energy: -152.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1729.501837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.501837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.501837 (E_RNA) where: Base-Base interactions energy: -1218.004 where: short stacking energy: -496.864 Base-Backbone interact. energy: 0.736 local terms energy: -512.234002 where: bonds (distance) C4'-P energy: -97.512 bonds (distance) P-C4' energy: -86.751 flat angles C4'-P-C4' energy: -105.515 flat angles P-C4'-P energy: -72.425 tors. eta vs tors. theta energy: -150.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1620.313333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.313333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.313333 (E_RNA) where: Base-Base interactions energy: -1115.335 where: short stacking energy: -444.786 Base-Backbone interact. energy: -1.977 local terms energy: -503.000558 where: bonds (distance) C4'-P energy: -85.043 bonds (distance) P-C4' energy: -87.919 flat angles C4'-P-C4' energy: -117.004 flat angles P-C4'-P energy: -72.370 tors. eta vs tors. theta energy: -140.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1517.119671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.119671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.119671 (E_RNA) where: Base-Base interactions energy: -1037.420 where: short stacking energy: -438.125 Base-Backbone interact. energy: -1.571 local terms energy: -478.128460 where: bonds (distance) C4'-P energy: -78.236 bonds (distance) P-C4' energy: -99.142 flat angles C4'-P-C4' energy: -99.732 flat angles P-C4'-P energy: -68.637 tors. eta vs tors. theta energy: -132.383 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: 6, replica: 4 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1473.769074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.769074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.769074 (E_RNA) where: Base-Base interactions energy: -1035.655 where: short stacking energy: -439.464 Base-Backbone interact. energy: 1.042 local terms energy: -439.155706 where: bonds (distance) C4'-P energy: -78.531 bonds (distance) P-C4' energy: -73.409 flat angles C4'-P-C4' energy: -91.417 flat angles P-C4'-P energy: -62.830 tors. eta vs tors. theta energy: -132.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1329.068907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.068907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.068907 (E_RNA) where: Base-Base interactions energy: -926.188 where: short stacking energy: -388.591 Base-Backbone interact. energy: 5.747 local terms energy: -408.627762 where: bonds (distance) C4'-P energy: -74.448 bonds (distance) P-C4' energy: -84.160 flat angles C4'-P-C4' energy: -96.862 flat angles P-C4'-P energy: -45.482 tors. eta vs tors. theta energy: -107.676 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: 5 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1234.803054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.803054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.803054 (E_RNA) where: Base-Base interactions energy: -820.107 where: short stacking energy: -348.984 Base-Backbone interact. energy: 1.258 local terms energy: -415.954034 where: bonds (distance) C4'-P energy: -61.162 bonds (distance) P-C4' energy: -73.615 flat angles C4'-P-C4' energy: -107.318 flat angles P-C4'-P energy: -69.844 tors. eta vs tors. theta energy: -104.016 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: 9 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -1127.309517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.309517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.309517 (E_RNA) where: Base-Base interactions energy: -755.043 where: short stacking energy: -308.960 Base-Backbone interact. energy: 3.350 local terms energy: -375.615820 where: bonds (distance) C4'-P energy: -78.679 bonds (distance) P-C4' energy: -64.394 flat angles C4'-P-C4' energy: -92.180 flat angles P-C4'-P energy: -56.859 tors. eta vs tors. theta energy: -83.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -774.742657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.742657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.742657 (E_RNA) where: Base-Base interactions energy: -439.941 where: short stacking energy: -200.352 Base-Backbone interact. energy: 0.393 local terms energy: -335.194085 where: bonds (distance) C4'-P energy: -75.643 bonds (distance) P-C4' energy: -78.924 flat angles C4'-P-C4' energy: -86.620 flat angles P-C4'-P energy: -57.810 tors. eta vs tors. theta energy: -36.196 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: 1, replica: 2 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1864.939372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.939372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.939372 (E_RNA) where: Base-Base interactions energy: -1327.435 where: short stacking energy: -545.545 Base-Backbone interact. energy: -1.795 local terms energy: -535.710028 where: bonds (distance) C4'-P energy: -94.485 bonds (distance) P-C4' energy: -94.321 flat angles C4'-P-C4' energy: -107.346 flat angles P-C4'-P energy: -76.102 tors. eta vs tors. theta energy: -163.455 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: 3 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1809.802181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.802181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.802181 (E_RNA) where: Base-Base interactions energy: -1275.115 where: short stacking energy: -502.070 Base-Backbone interact. energy: -0.057 local terms energy: -534.630916 where: bonds (distance) C4'-P energy: -92.585 bonds (distance) P-C4' energy: -102.500 flat angles C4'-P-C4' energy: -112.471 flat angles P-C4'-P energy: -73.670 tors. eta vs tors. theta energy: -153.405 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: 8 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1721.254058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.254058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.254058 (E_RNA) where: Base-Base interactions energy: -1211.101 where: short stacking energy: -488.441 Base-Backbone interact. energy: -0.588 local terms energy: -509.565191 where: bonds (distance) C4'-P energy: -98.020 bonds (distance) P-C4' energy: -85.427 flat angles C4'-P-C4' energy: -110.807 flat angles P-C4'-P energy: -76.901 tors. eta vs tors. theta energy: -138.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1637.849643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.849643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.849643 (E_RNA) where: Base-Base interactions energy: -1133.555 where: short stacking energy: -472.607 Base-Backbone interact. energy: 1.106 local terms energy: -505.400357 where: bonds (distance) C4'-P energy: -88.024 bonds (distance) P-C4' energy: -87.097 flat angles C4'-P-C4' energy: -107.902 flat angles P-C4'-P energy: -75.762 tors. eta vs tors. theta energy: -146.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1540.787877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.787877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.787877 (E_RNA) where: Base-Base interactions energy: -1046.714 where: short stacking energy: -437.486 Base-Backbone interact. energy: 0.102 local terms energy: -494.175376 where: bonds (distance) C4'-P energy: -86.869 bonds (distance) P-C4' energy: -98.751 flat angles C4'-P-C4' energy: -93.897 flat angles P-C4'-P energy: -78.103 tors. eta vs tors. theta energy: -136.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1473.412181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.412181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.412181 (E_RNA) where: Base-Base interactions energy: -1034.457 where: short stacking energy: -426.025 Base-Backbone interact. energy: -0.870 local terms energy: -438.084657 where: bonds (distance) C4'-P energy: -82.202 bonds (distance) P-C4' energy: -95.262 flat angles C4'-P-C4' energy: -91.916 flat angles P-C4'-P energy: -46.084 tors. eta vs tors. theta energy: -122.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1322.936383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.936383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.936383 (E_RNA) where: Base-Base interactions energy: -904.589 where: short stacking energy: -363.017 Base-Backbone interact. energy: -1.255 local terms energy: -417.092464 where: bonds (distance) C4'-P energy: -77.660 bonds (distance) P-C4' energy: -86.388 flat angles C4'-P-C4' energy: -90.361 flat angles P-C4'-P energy: -63.473 tors. eta vs tors. theta energy: -99.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1200.222779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.222779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.222779 (E_RNA) where: Base-Base interactions energy: -820.817 where: short stacking energy: -356.302 Base-Backbone interact. energy: 1.861 local terms energy: -381.267050 where: bonds (distance) C4'-P energy: -77.161 bonds (distance) P-C4' energy: -76.301 flat angles C4'-P-C4' energy: -89.770 flat angles P-C4'-P energy: -50.663 tors. eta vs tors. theta energy: -87.373 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: 300 Temperature: 1.300000 Total energy: -1121.346414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.346414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.346414 (E_RNA) where: Base-Base interactions energy: -715.583 where: short stacking energy: -310.224 Base-Backbone interact. energy: -0.479 local terms energy: -405.284133 where: bonds (distance) C4'-P energy: -97.634 bonds (distance) P-C4' energy: -80.969 flat angles C4'-P-C4' energy: -83.021 flat angles P-C4'-P energy: -55.798 tors. eta vs tors. theta energy: -87.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -771.945828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.945828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.945828 (E_RNA) where: Base-Base interactions energy: -452.521 where: short stacking energy: -214.811 Base-Backbone interact. energy: 4.571 local terms energy: -323.996190 where: bonds (distance) C4'-P energy: -84.546 bonds (distance) P-C4' energy: -75.995 flat angles C4'-P-C4' energy: -83.991 flat angles P-C4'-P energy: -45.255 tors. eta vs tors. theta energy: -34.209 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: 2 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1912.945142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.945142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.945142 (E_RNA) where: Base-Base interactions energy: -1332.408 where: short stacking energy: -538.277 Base-Backbone interact. energy: -0.811 local terms energy: -579.725847 where: bonds (distance) C4'-P energy: -101.730 bonds (distance) P-C4' energy: -101.999 flat angles C4'-P-C4' energy: -118.740 flat angles P-C4'-P energy: -89.337 tors. eta vs tors. theta energy: -167.920 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: 2, replica: 8 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1747.178767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.178767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.178767 (E_RNA) where: Base-Base interactions energy: -1212.921 where: short stacking energy: -485.600 Base-Backbone interact. energy: -2.186 local terms energy: -532.071603 where: bonds (distance) C4'-P energy: -95.328 bonds (distance) P-C4' energy: -97.216 flat angles C4'-P-C4' energy: -107.691 flat angles P-C4'-P energy: -83.360 tors. eta vs tors. theta energy: -148.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1777.803023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.803023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.803023 (E_RNA) where: Base-Base interactions energy: -1262.362 where: short stacking energy: -524.498 Base-Backbone interact. energy: -0.540 local terms energy: -514.901128 where: bonds (distance) C4'-P energy: -95.781 bonds (distance) P-C4' energy: -80.390 flat angles C4'-P-C4' energy: -114.882 flat angles P-C4'-P energy: -69.655 tors. eta vs tors. theta energy: -154.194 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: 4, replica: 7 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1643.675272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.675272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.675272 (E_RNA) where: Base-Base interactions energy: -1140.355 where: short stacking energy: -462.551 Base-Backbone interact. energy: -0.727 local terms energy: -502.593107 where: bonds (distance) C4'-P energy: -97.644 bonds (distance) P-C4' energy: -82.034 flat angles C4'-P-C4' energy: -104.312 flat angles P-C4'-P energy: -74.368 tors. eta vs tors. theta energy: -144.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1507.677717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.677717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.677717 (E_RNA) where: Base-Base interactions energy: -1040.434 where: short stacking energy: -435.124 Base-Backbone interact. energy: -1.354 local terms energy: -465.889546 where: bonds (distance) C4'-P energy: -87.032 bonds (distance) P-C4' energy: -96.051 flat angles C4'-P-C4' energy: -105.521 flat angles P-C4'-P energy: -50.555 tors. eta vs tors. theta energy: -126.730 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: 4 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1477.826073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.826073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.826073 (E_RNA) where: Base-Base interactions energy: -1027.514 where: short stacking energy: -428.257 Base-Backbone interact. energy: 2.478 local terms energy: -452.789243 where: bonds (distance) C4'-P energy: -76.994 bonds (distance) P-C4' energy: -92.788 flat angles C4'-P-C4' energy: -91.773 flat angles P-C4'-P energy: -62.176 tors. eta vs tors. theta energy: -129.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1294.049139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.049139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.049139 (E_RNA) where: Base-Base interactions energy: -846.298 where: short stacking energy: -354.668 Base-Backbone interact. energy: -0.610 local terms energy: -447.141218 where: bonds (distance) C4'-P energy: -86.056 bonds (distance) P-C4' energy: -92.511 flat angles C4'-P-C4' energy: -95.810 flat angles P-C4'-P energy: -69.654 tors. eta vs tors. theta energy: -103.110 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: 9 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1129.562550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.562550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.562550 (E_RNA) where: Base-Base interactions energy: -775.539 where: short stacking energy: -326.412 Base-Backbone interact. energy: 2.569 local terms energy: -356.592589 where: bonds (distance) C4'-P energy: -78.664 bonds (distance) P-C4' energy: -74.858 flat angles C4'-P-C4' energy: -90.276 flat angles P-C4'-P energy: -36.612 tors. eta vs tors. theta energy: -76.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -1170.257887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.257887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.257887 (E_RNA) where: Base-Base interactions energy: -786.775 where: short stacking energy: -335.451 Base-Backbone interact. energy: 1.143 local terms energy: -384.625719 where: bonds (distance) C4'-P energy: -67.571 bonds (distance) P-C4' energy: -77.757 flat angles C4'-P-C4' energy: -96.608 flat angles P-C4'-P energy: -57.074 tors. eta vs tors. theta energy: -85.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -746.026452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.026452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.026452 (E_RNA) where: Base-Base interactions energy: -446.699 where: short stacking energy: -222.301 Base-Backbone interact. energy: 4.490 local terms energy: -303.818127 where: bonds (distance) C4'-P energy: -70.706 bonds (distance) P-C4' energy: -78.532 flat angles C4'-P-C4' energy: -75.426 flat angles P-C4'-P energy: -45.546 tors. eta vs tors. theta energy: -33.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1876.092203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.092203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.092203 (E_RNA) where: Base-Base interactions energy: -1318.802 where: short stacking energy: -532.480 Base-Backbone interact. energy: -1.609 local terms energy: -555.680978 where: bonds (distance) C4'-P energy: -101.129 bonds (distance) P-C4' energy: -97.756 flat angles C4'-P-C4' energy: -116.392 flat angles P-C4'-P energy: -76.529 tors. eta vs tors. theta energy: -163.876 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: 8 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1766.122422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.122422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.122422 (E_RNA) where: Base-Base interactions energy: -1226.632 where: short stacking energy: -494.548 Base-Backbone interact. energy: 1.935 local terms energy: -541.425717 where: bonds (distance) C4'-P energy: -100.953 bonds (distance) P-C4' energy: -86.950 flat angles C4'-P-C4' energy: -115.272 flat angles P-C4'-P energy: -78.797 tors. eta vs tors. theta energy: -159.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1731.564640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.564640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.564640 (E_RNA) where: Base-Base interactions energy: -1218.135 where: short stacking energy: -484.479 Base-Backbone interact. energy: 1.783 local terms energy: -515.212603 where: bonds (distance) C4'-P energy: -92.061 bonds (distance) P-C4' energy: -90.922 flat angles C4'-P-C4' energy: -106.960 flat angles P-C4'-P energy: -76.130 tors. eta vs tors. theta energy: -149.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1615.895716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.895716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.895716 (E_RNA) where: Base-Base interactions energy: -1102.674 where: short stacking energy: -473.197 Base-Backbone interact. energy: -0.521 local terms energy: -512.700744 where: bonds (distance) C4'-P energy: -91.501 bonds (distance) P-C4' energy: -88.692 flat angles C4'-P-C4' energy: -110.404 flat angles P-C4'-P energy: -79.614 tors. eta vs tors. theta energy: -142.490 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: 4 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1513.460857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.460857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.460857 (E_RNA) where: Base-Base interactions energy: -1043.069 where: short stacking energy: -437.747 Base-Backbone interact. energy: -1.147 local terms energy: -469.245021 where: bonds (distance) C4'-P energy: -89.879 bonds (distance) P-C4' energy: -76.948 flat angles C4'-P-C4' energy: -96.965 flat angles P-C4'-P energy: -66.306 tors. eta vs tors. theta energy: -139.148 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: 6, replica: 1 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1471.853935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.853935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.853935 (E_RNA) where: Base-Base interactions energy: -1015.392 where: short stacking energy: -401.789 Base-Backbone interact. energy: -0.305 local terms energy: -456.156867 where: bonds (distance) C4'-P energy: -91.335 bonds (distance) P-C4' energy: -81.266 flat angles C4'-P-C4' energy: -94.904 flat angles P-C4'-P energy: -70.183 tors. eta vs tors. theta energy: -118.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1322.520538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.520538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.520538 (E_RNA) where: Base-Base interactions energy: -907.174 where: short stacking energy: -365.108 Base-Backbone interact. energy: -0.711 local terms energy: -414.636116 where: bonds (distance) C4'-P energy: -80.353 bonds (distance) P-C4' energy: -83.579 flat angles C4'-P-C4' energy: -86.872 flat angles P-C4'-P energy: -62.210 tors. eta vs tors. theta energy: -101.622 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: 9 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1161.139888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.139888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.139888 (E_RNA) where: Base-Base interactions energy: -772.420 where: short stacking energy: -315.916 Base-Backbone interact. energy: -1.384 local terms energy: -387.335493 where: bonds (distance) C4'-P energy: -73.204 bonds (distance) P-C4' energy: -86.182 flat angles C4'-P-C4' energy: -80.502 flat angles P-C4'-P energy: -56.545 tors. eta vs tors. theta energy: -90.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -1184.204858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.204858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.204858 (E_RNA) where: Base-Base interactions energy: -808.036 where: short stacking energy: -327.173 Base-Backbone interact. energy: 0.951 local terms energy: -377.119031 where: bonds (distance) C4'-P energy: -66.940 bonds (distance) P-C4' energy: -82.163 flat angles C4'-P-C4' energy: -96.378 flat angles P-C4'-P energy: -54.566 tors. eta vs tors. theta energy: -77.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -757.091847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.091847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.091847 (E_RNA) where: Base-Base interactions energy: -458.171 where: short stacking energy: -210.090 Base-Backbone interact. energy: -1.777 local terms energy: -297.144027 where: bonds (distance) C4'-P energy: -52.252 bonds (distance) P-C4' energy: -88.286 flat angles C4'-P-C4' energy: -92.201 flat angles P-C4'-P energy: -32.008 tors. eta vs tors. theta energy: -32.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1859.944293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.944293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.944293 (E_RNA) where: Base-Base interactions energy: -1320.400 where: short stacking energy: -527.195 Base-Backbone interact. energy: -2.753 local terms energy: -536.791019 where: bonds (distance) C4'-P energy: -84.939 bonds (distance) P-C4' energy: -97.448 flat angles C4'-P-C4' energy: -112.489 flat angles P-C4'-P energy: -77.260 tors. eta vs tors. theta energy: -164.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1771.526925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.526925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.526925 (E_RNA) where: Base-Base interactions energy: -1230.288 where: short stacking energy: -505.598 Base-Backbone interact. energy: 0.534 local terms energy: -541.772978 where: bonds (distance) C4'-P energy: -89.124 bonds (distance) P-C4' energy: -107.563 flat angles C4'-P-C4' energy: -118.667 flat angles P-C4'-P energy: -66.720 tors. eta vs tors. theta energy: -159.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1741.459851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.459851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.459851 (E_RNA) where: Base-Base interactions energy: -1216.875 where: short stacking energy: -494.530 Base-Backbone interact. energy: -1.557 local terms energy: -523.027720 where: bonds (distance) C4'-P energy: -82.586 bonds (distance) P-C4' energy: -91.254 flat angles C4'-P-C4' energy: -118.846 flat angles P-C4'-P energy: -76.614 tors. eta vs tors. theta energy: -153.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1587.367034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.367034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.367034 (E_RNA) where: Base-Base interactions energy: -1085.214 where: short stacking energy: -436.795 Base-Backbone interact. energy: -2.250 local terms energy: -499.902650 where: bonds (distance) C4'-P energy: -88.738 bonds (distance) P-C4' energy: -92.741 flat angles C4'-P-C4' energy: -105.611 flat angles P-C4'-P energy: -74.692 tors. eta vs tors. theta energy: -138.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1525.777646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.777646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.777646 (E_RNA) where: Base-Base interactions energy: -1031.896 where: short stacking energy: -411.143 Base-Backbone interact. energy: 0.949 local terms energy: -494.831333 where: bonds (distance) C4'-P energy: -100.014 bonds (distance) P-C4' energy: -85.274 flat angles C4'-P-C4' energy: -103.781 flat angles P-C4'-P energy: -71.977 tors. eta vs tors. theta energy: -133.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1464.510149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.510149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.510149 (E_RNA) where: Base-Base interactions energy: -1010.922 where: short stacking energy: -412.937 Base-Backbone interact. energy: -1.736 local terms energy: -451.852001 where: bonds (distance) C4'-P energy: -70.498 bonds (distance) P-C4' energy: -89.738 flat angles C4'-P-C4' energy: -101.120 flat angles P-C4'-P energy: -67.528 tors. eta vs tors. theta energy: -122.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1371.667085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.667085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.667085 (E_RNA) where: Base-Base interactions energy: -936.899 where: short stacking energy: -413.287 Base-Backbone interact. energy: -0.404 local terms energy: -434.364341 where: bonds (distance) C4'-P energy: -86.245 bonds (distance) P-C4' energy: -82.459 flat angles C4'-P-C4' energy: -93.932 flat angles P-C4'-P energy: -58.846 tors. eta vs tors. theta energy: -112.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1210.651665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.651665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.651665 (E_RNA) where: Base-Base interactions energy: -810.964 where: short stacking energy: -340.120 Base-Backbone interact. energy: 0.704 local terms energy: -400.392131 where: bonds (distance) C4'-P energy: -68.925 bonds (distance) P-C4' energy: -70.169 flat angles C4'-P-C4' energy: -101.002 flat angles P-C4'-P energy: -63.112 tors. eta vs tors. theta energy: -97.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -1083.436309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.436309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.436309 (E_RNA) where: Base-Base interactions energy: -687.028 where: short stacking energy: -304.946 Base-Backbone interact. energy: 1.938 local terms energy: -398.345759 where: bonds (distance) C4'-P energy: -84.180 bonds (distance) P-C4' energy: -99.259 flat angles C4'-P-C4' energy: -87.670 flat angles P-C4'-P energy: -46.371 tors. eta vs tors. theta energy: -80.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -697.077176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.077176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.077176 (E_RNA) where: Base-Base interactions energy: -417.906 where: short stacking energy: -202.987 Base-Backbone interact. energy: -1.006 local terms energy: -278.165041 where: bonds (distance) C4'-P energy: -70.790 bonds (distance) P-C4' energy: -63.373 flat angles C4'-P-C4' energy: -79.347 flat angles P-C4'-P energy: -39.880 tors. eta vs tors. theta energy: -24.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1816.825920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.825920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.825920 (E_RNA) where: Base-Base interactions energy: -1275.743 where: short stacking energy: -526.462 Base-Backbone interact. energy: -1.169 local terms energy: -539.913677 where: bonds (distance) C4'-P energy: -93.852 bonds (distance) P-C4' energy: -104.181 flat angles C4'-P-C4' energy: -112.385 flat angles P-C4'-P energy: -66.293 tors. eta vs tors. theta energy: -163.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1820.173665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.173665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.173665 (E_RNA) where: Base-Base interactions energy: -1279.209 where: short stacking energy: -518.079 Base-Backbone interact. energy: -1.974 local terms energy: -538.990290 where: bonds (distance) C4'-P energy: -97.472 bonds (distance) P-C4' energy: -95.195 flat angles C4'-P-C4' energy: -111.177 flat angles P-C4'-P energy: -72.408 tors. eta vs tors. theta energy: -162.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1732.062975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.062975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.062975 (E_RNA) where: Base-Base interactions energy: -1200.668 where: short stacking energy: -481.301 Base-Backbone interact. energy: 2.045 local terms energy: -533.440181 where: bonds (distance) C4'-P energy: -96.060 bonds (distance) P-C4' energy: -95.835 flat angles C4'-P-C4' energy: -111.496 flat angles P-C4'-P energy: -84.694 tors. eta vs tors. theta energy: -145.355 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: 7 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1610.185613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.185613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.185613 (E_RNA) where: Base-Base interactions energy: -1106.585 where: short stacking energy: -446.046 Base-Backbone interact. energy: 0.158 local terms energy: -503.758576 where: bonds (distance) C4'-P energy: -84.143 bonds (distance) P-C4' energy: -89.197 flat angles C4'-P-C4' energy: -109.243 flat angles P-C4'-P energy: -77.606 tors. eta vs tors. theta energy: -143.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1519.414686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.414686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.414686 (E_RNA) where: Base-Base interactions energy: -1025.237 where: short stacking energy: -436.123 Base-Backbone interact. energy: 1.155 local terms energy: -495.332566 where: bonds (distance) C4'-P energy: -88.434 bonds (distance) P-C4' energy: -98.879 flat angles C4'-P-C4' energy: -98.989 flat angles P-C4'-P energy: -64.613 tors. eta vs tors. theta energy: -144.418 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: 1 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1514.925911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.925911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.925911 (E_RNA) where: Base-Base interactions energy: -1056.697 where: short stacking energy: -430.236 Base-Backbone interact. energy: -0.465 local terms energy: -457.763974 where: bonds (distance) C4'-P energy: -83.931 bonds (distance) P-C4' energy: -90.623 flat angles C4'-P-C4' energy: -93.886 flat angles P-C4'-P energy: -67.528 tors. eta vs tors. theta energy: -121.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1385.288854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.288854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.288854 (E_RNA) where: Base-Base interactions energy: -955.203 where: short stacking energy: -387.321 Base-Backbone interact. energy: 2.893 local terms energy: -432.979603 where: bonds (distance) C4'-P energy: -76.727 bonds (distance) P-C4' energy: -91.957 flat angles C4'-P-C4' energy: -91.559 flat angles P-C4'-P energy: -64.996 tors. eta vs tors. theta energy: -107.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1232.485202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.485202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.485202 (E_RNA) where: Base-Base interactions energy: -836.420 where: short stacking energy: -368.714 Base-Backbone interact. energy: -1.758 local terms energy: -394.308066 where: bonds (distance) C4'-P energy: -57.646 bonds (distance) P-C4' energy: -92.415 flat angles C4'-P-C4' energy: -91.086 flat angles P-C4'-P energy: -57.841 tors. eta vs tors. theta energy: -95.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -1083.894026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.894026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.894026 (E_RNA) where: Base-Base interactions energy: -694.872 where: short stacking energy: -293.180 Base-Backbone interact. energy: 5.648 local terms energy: -394.669717 where: bonds (distance) C4'-P energy: -80.845 bonds (distance) P-C4' energy: -89.967 flat angles C4'-P-C4' energy: -88.519 flat angles P-C4'-P energy: -63.490 tors. eta vs tors. theta energy: -71.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -752.301056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.301056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.301056 (E_RNA) where: Base-Base interactions energy: -463.451 where: short stacking energy: -210.280 Base-Backbone interact. energy: 1.270 local terms energy: -290.120733 where: bonds (distance) C4'-P energy: -55.757 bonds (distance) P-C4' energy: -88.835 flat angles C4'-P-C4' energy: -75.861 flat angles P-C4'-P energy: -48.735 tors. eta vs tors. theta energy: -20.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1794.966683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.966683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.966683 (E_RNA) where: Base-Base interactions energy: -1263.886 where: short stacking energy: -519.018 Base-Backbone interact. energy: -1.248 local terms energy: -529.832460 where: bonds (distance) C4'-P energy: -91.632 bonds (distance) P-C4' energy: -93.882 flat angles C4'-P-C4' energy: -102.863 flat angles P-C4'-P energy: -78.206 tors. eta vs tors. theta energy: -163.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1820.798485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.798485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.798485 (E_RNA) where: Base-Base interactions energy: -1298.915 where: short stacking energy: -511.670 Base-Backbone interact. energy: 0.227 local terms energy: -522.109962 where: bonds (distance) C4'-P energy: -98.509 bonds (distance) P-C4' energy: -93.934 flat angles C4'-P-C4' energy: -107.907 flat angles P-C4'-P energy: -62.937 tors. eta vs tors. theta energy: -158.822 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: 3 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1741.918590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.918590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.918590 (E_RNA) where: Base-Base interactions energy: -1219.621 where: short stacking energy: -486.511 Base-Backbone interact. energy: -1.788 local terms energy: -520.510023 where: bonds (distance) C4'-P energy: -94.911 bonds (distance) P-C4' energy: -98.997 flat angles C4'-P-C4' energy: -102.091 flat angles P-C4'-P energy: -71.505 tors. eta vs tors. theta energy: -153.005 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: 7 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1614.160656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.160656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.160656 (E_RNA) where: Base-Base interactions energy: -1122.077 where: short stacking energy: -476.522 Base-Backbone interact. energy: -1.835 local terms energy: -490.248452 where: bonds (distance) C4'-P energy: -78.252 bonds (distance) P-C4' energy: -79.458 flat angles C4'-P-C4' energy: -108.139 flat angles P-C4'-P energy: -76.933 tors. eta vs tors. theta energy: -147.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1510.446509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.446509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.446509 (E_RNA) where: Base-Base interactions energy: -1049.671 where: short stacking energy: -431.469 Base-Backbone interact. energy: 4.132 local terms energy: -464.906910 where: bonds (distance) C4'-P energy: -81.913 bonds (distance) P-C4' energy: -73.140 flat angles C4'-P-C4' energy: -105.532 flat angles P-C4'-P energy: -71.635 tors. eta vs tors. theta energy: -132.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1433.181902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.181902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.181902 (E_RNA) where: Base-Base interactions energy: -1002.446 where: short stacking energy: -401.100 Base-Backbone interact. energy: -0.902 local terms energy: -429.833591 where: bonds (distance) C4'-P energy: -73.389 bonds (distance) P-C4' energy: -97.575 flat angles C4'-P-C4' energy: -87.174 flat angles P-C4'-P energy: -62.766 tors. eta vs tors. theta energy: -108.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1463.128248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.128248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.128248 (E_RNA) where: Base-Base interactions energy: -1004.753 where: short stacking energy: -407.120 Base-Backbone interact. energy: -3.516 local terms energy: -454.859555 where: bonds (distance) C4'-P energy: -91.384 bonds (distance) P-C4' energy: -75.664 flat angles C4'-P-C4' energy: -97.924 flat angles P-C4'-P energy: -69.182 tors. eta vs tors. theta energy: -120.705 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: 5 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1262.453178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.453178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.453178 (E_RNA) where: Base-Base interactions energy: -880.065 where: short stacking energy: -358.001 Base-Backbone interact. energy: 4.859 local terms energy: -387.247790 where: bonds (distance) C4'-P energy: -66.691 bonds (distance) P-C4' energy: -71.606 flat angles C4'-P-C4' energy: -89.819 flat angles P-C4'-P energy: -59.423 tors. eta vs tors. theta energy: -99.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -1072.620453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.620453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.620453 (E_RNA) where: Base-Base interactions energy: -713.967 where: short stacking energy: -293.031 Base-Backbone interact. energy: 5.939 local terms energy: -364.591925 where: bonds (distance) C4'-P energy: -72.100 bonds (distance) P-C4' energy: -93.262 flat angles C4'-P-C4' energy: -81.876 flat angles P-C4'-P energy: -47.342 tors. eta vs tors. theta energy: -70.012 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: 10 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -768.207267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.207267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.207267 (E_RNA) where: Base-Base interactions energy: -450.044 where: short stacking energy: -207.819 Base-Backbone interact. energy: 1.920 local terms energy: -320.083119 where: bonds (distance) C4'-P energy: -94.560 bonds (distance) P-C4' energy: -80.524 flat angles C4'-P-C4' energy: -68.148 flat angles P-C4'-P energy: -41.223 tors. eta vs tors. theta energy: -35.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1848.836964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.836964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.836964 (E_RNA) where: Base-Base interactions energy: -1289.152 where: short stacking energy: -535.671 Base-Backbone interact. energy: -1.633 local terms energy: -558.052071 where: bonds (distance) C4'-P energy: -97.315 bonds (distance) P-C4' energy: -96.944 flat angles C4'-P-C4' energy: -110.302 flat angles P-C4'-P energy: -84.722 tors. eta vs tors. theta energy: -168.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1788.914817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.914817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.914817 (E_RNA) where: Base-Base interactions energy: -1241.198 where: short stacking energy: -508.362 Base-Backbone interact. energy: 0.713 local terms energy: -548.429101 where: bonds (distance) C4'-P energy: -96.226 bonds (distance) P-C4' energy: -92.058 flat angles C4'-P-C4' energy: -114.356 flat angles P-C4'-P energy: -86.414 tors. eta vs tors. theta energy: -159.375 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: 3 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1725.741019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.741019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.741019 (E_RNA) where: Base-Base interactions energy: -1229.110 where: short stacking energy: -512.090 Base-Backbone interact. energy: -1.065 local terms energy: -495.565269 where: bonds (distance) C4'-P energy: -84.142 bonds (distance) P-C4' energy: -87.480 flat angles C4'-P-C4' energy: -104.017 flat angles P-C4'-P energy: -68.160 tors. eta vs tors. theta energy: -151.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1642.046536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.046536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.046536 (E_RNA) where: Base-Base interactions energy: -1125.388 where: short stacking energy: -471.761 Base-Backbone interact. energy: 0.849 local terms energy: -517.508043 where: bonds (distance) C4'-P energy: -94.991 bonds (distance) P-C4' energy: -93.456 flat angles C4'-P-C4' energy: -104.418 flat angles P-C4'-P energy: -66.318 tors. eta vs tors. theta energy: -158.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1524.600926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.600926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.600926 (E_RNA) where: Base-Base interactions energy: -1059.856 where: short stacking energy: -440.065 Base-Backbone interact. energy: -1.432 local terms energy: -463.313114 where: bonds (distance) C4'-P energy: -78.748 bonds (distance) P-C4' energy: -84.602 flat angles C4'-P-C4' energy: -108.713 flat angles P-C4'-P energy: -60.649 tors. eta vs tors. theta energy: -130.602 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: 6 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1488.628916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.628916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.628916 (E_RNA) where: Base-Base interactions energy: -1051.349 where: short stacking energy: -409.075 Base-Backbone interact. energy: -3.296 local terms energy: -433.983517 where: bonds (distance) C4'-P energy: -82.427 bonds (distance) P-C4' energy: -72.535 flat angles C4'-P-C4' energy: -102.299 flat angles P-C4'-P energy: -57.128 tors. eta vs tors. theta energy: -119.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1444.728486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.728486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.728486 (E_RNA) where: Base-Base interactions energy: -977.858 where: short stacking energy: -396.493 Base-Backbone interact. energy: -1.078 local terms energy: -465.792689 where: bonds (distance) C4'-P energy: -89.606 bonds (distance) P-C4' energy: -101.840 flat angles C4'-P-C4' energy: -97.327 flat angles P-C4'-P energy: -55.896 tors. eta vs tors. theta energy: -121.123 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: 5 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1258.839277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.839277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.839277 (E_RNA) where: Base-Base interactions energy: -873.905 where: short stacking energy: -378.026 Base-Backbone interact. energy: 0.801 local terms energy: -385.734725 where: bonds (distance) C4'-P energy: -74.091 bonds (distance) P-C4' energy: -67.451 flat angles C4'-P-C4' energy: -89.896 flat angles P-C4'-P energy: -53.865 tors. eta vs tors. theta energy: -100.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -1099.665753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.665753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.665753 (E_RNA) where: Base-Base interactions energy: -727.607 where: short stacking energy: -307.196 Base-Backbone interact. energy: -1.214 local terms energy: -370.844108 where: bonds (distance) C4'-P energy: -76.210 bonds (distance) P-C4' energy: -69.357 flat angles C4'-P-C4' energy: -95.498 flat angles P-C4'-P energy: -51.183 tors. eta vs tors. theta energy: -78.595 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: 10 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -805.322011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.322011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.322011 (E_RNA) where: Base-Base interactions energy: -473.087 where: short stacking energy: -214.738 Base-Backbone interact. energy: -2.177 local terms energy: -330.057944 where: bonds (distance) C4'-P energy: -69.894 bonds (distance) P-C4' energy: -91.038 flat angles C4'-P-C4' energy: -80.020 flat angles P-C4'-P energy: -49.701 tors. eta vs tors. theta energy: -39.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1855.110534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.110534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.110534 (E_RNA) where: Base-Base interactions energy: -1312.649 where: short stacking energy: -528.312 Base-Backbone interact. energy: -1.356 local terms energy: -541.105307 where: bonds (distance) C4'-P energy: -87.430 bonds (distance) P-C4' energy: -97.177 flat angles C4'-P-C4' energy: -107.199 flat angles P-C4'-P energy: -86.764 tors. eta vs tors. theta energy: -162.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1783.683198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.683198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.683198 (E_RNA) where: Base-Base interactions energy: -1253.116 where: short stacking energy: -520.614 Base-Backbone interact. energy: -0.373 local terms energy: -530.194226 where: bonds (distance) C4'-P energy: -88.467 bonds (distance) P-C4' energy: -90.341 flat angles C4'-P-C4' energy: -118.893 flat angles P-C4'-P energy: -76.707 tors. eta vs tors. theta energy: -155.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1738.741093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.741093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.741093 (E_RNA) where: Base-Base interactions energy: -1205.653 where: short stacking energy: -492.755 Base-Backbone interact. energy: -2.110 local terms energy: -530.977528 where: bonds (distance) C4'-P energy: -102.367 bonds (distance) P-C4' energy: -91.030 flat angles C4'-P-C4' energy: -107.769 flat angles P-C4'-P energy: -71.858 tors. eta vs tors. theta energy: -157.953 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: 7 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1624.946672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.946672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.946672 (E_RNA) where: Base-Base interactions energy: -1134.905 where: short stacking energy: -474.395 Base-Backbone interact. energy: -2.176 local terms energy: -487.865818 where: bonds (distance) C4'-P energy: -78.507 bonds (distance) P-C4' energy: -89.570 flat angles C4'-P-C4' energy: -99.487 flat angles P-C4'-P energy: -62.531 tors. eta vs tors. theta energy: -157.772 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: 4 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1512.841882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.841882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.841882 (E_RNA) where: Base-Base interactions energy: -1045.723 where: short stacking energy: -450.510 Base-Backbone interact. energy: 0.841 local terms energy: -467.959890 where: bonds (distance) C4'-P energy: -90.251 bonds (distance) P-C4' energy: -82.425 flat angles C4'-P-C4' energy: -97.243 flat angles P-C4'-P energy: -54.288 tors. eta vs tors. theta energy: -143.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1475.043156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.043156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.043156 (E_RNA) where: Base-Base interactions energy: -1046.885 where: short stacking energy: -415.145 Base-Backbone interact. energy: 1.349 local terms energy: -429.507267 where: bonds (distance) C4'-P energy: -76.466 bonds (distance) P-C4' energy: -82.460 flat angles C4'-P-C4' energy: -91.752 flat angles P-C4'-P energy: -68.524 tors. eta vs tors. theta energy: -110.305 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: 1 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1375.932467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.932467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.932467 (E_RNA) where: Base-Base interactions energy: -949.728 where: short stacking energy: -379.356 Base-Backbone interact. energy: -1.454 local terms energy: -424.750250 where: bonds (distance) C4'-P energy: -73.272 bonds (distance) P-C4' energy: -97.729 flat angles C4'-P-C4' energy: -82.979 flat angles P-C4'-P energy: -62.998 tors. eta vs tors. theta energy: -107.772 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: 8, replica: 5 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1270.830413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.830413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.830413 (E_RNA) where: Base-Base interactions energy: -848.114 where: short stacking energy: -371.418 Base-Backbone interact. energy: 0.570 local terms energy: -423.286611 where: bonds (distance) C4'-P energy: -94.953 bonds (distance) P-C4' energy: -89.633 flat angles C4'-P-C4' energy: -92.840 flat angles P-C4'-P energy: -48.970 tors. eta vs tors. theta energy: -96.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -1097.797856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.797856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.797856 (E_RNA) where: Base-Base interactions energy: -715.470 where: short stacking energy: -311.186 Base-Backbone interact. energy: 0.768 local terms energy: -383.095694 where: bonds (distance) C4'-P energy: -69.625 bonds (distance) P-C4' energy: -86.446 flat angles C4'-P-C4' energy: -91.439 flat angles P-C4'-P energy: -58.765 tors. eta vs tors. theta energy: -76.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -728.842145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.842145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.842145 (E_RNA) where: Base-Base interactions energy: -426.003 where: short stacking energy: -196.780 Base-Backbone interact. energy: -0.552 local terms energy: -302.287319 where: bonds (distance) C4'-P energy: -75.579 bonds (distance) P-C4' energy: -73.471 flat angles C4'-P-C4' energy: -91.572 flat angles P-C4'-P energy: -40.033 tors. eta vs tors. theta energy: -21.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1881.513145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.513145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.513145 (E_RNA) where: Base-Base interactions energy: -1324.862 where: short stacking energy: -528.407 Base-Backbone interact. energy: -0.955 local terms energy: -555.696115 where: bonds (distance) C4'-P energy: -90.548 bonds (distance) P-C4' energy: -105.795 flat angles C4'-P-C4' energy: -110.724 flat angles P-C4'-P energy: -87.099 tors. eta vs tors. theta energy: -161.530 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: 3 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1806.416784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.416784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.416784 (E_RNA) where: Base-Base interactions energy: -1275.337 where: short stacking energy: -506.288 Base-Backbone interact. energy: 0.227 local terms energy: -531.307579 where: bonds (distance) C4'-P energy: -96.135 bonds (distance) P-C4' energy: -90.577 flat angles C4'-P-C4' energy: -115.050 flat angles P-C4'-P energy: -72.276 tors. eta vs tors. theta energy: -157.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1731.720085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.720085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.720085 (E_RNA) where: Base-Base interactions energy: -1208.746 where: short stacking energy: -501.568 Base-Backbone interact. energy: -0.422 local terms energy: -522.552187 where: bonds (distance) C4'-P energy: -94.606 bonds (distance) P-C4' energy: -100.767 flat angles C4'-P-C4' energy: -106.165 flat angles P-C4'-P energy: -70.825 tors. eta vs tors. theta energy: -150.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1639.274978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.274978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.274978 (E_RNA) where: Base-Base interactions energy: -1127.465 where: short stacking energy: -462.146 Base-Backbone interact. energy: -0.661 local terms energy: -511.148438 where: bonds (distance) C4'-P energy: -94.964 bonds (distance) P-C4' energy: -89.081 flat angles C4'-P-C4' energy: -96.137 flat angles P-C4'-P energy: -71.185 tors. eta vs tors. theta energy: -159.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1580.665182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.665182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.665182 (E_RNA) where: Base-Base interactions energy: -1095.292 where: short stacking energy: -443.985 Base-Backbone interact. energy: 0.387 local terms energy: -485.760253 where: bonds (distance) C4'-P energy: -90.727 bonds (distance) P-C4' energy: -91.666 flat angles C4'-P-C4' energy: -108.782 flat angles P-C4'-P energy: -66.226 tors. eta vs tors. theta energy: -128.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1490.504033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.504033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.504033 (E_RNA) where: Base-Base interactions energy: -1021.181 where: short stacking energy: -440.350 Base-Backbone interact. energy: 0.251 local terms energy: -469.573879 where: bonds (distance) C4'-P energy: -94.436 bonds (distance) P-C4' energy: -83.698 flat angles C4'-P-C4' energy: -92.704 flat angles P-C4'-P energy: -55.530 tors. eta vs tors. theta energy: -143.206 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: 1 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1385.208284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.208284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.208284 (E_RNA) where: Base-Base interactions energy: -991.986 where: short stacking energy: -409.562 Base-Backbone interact. energy: -2.494 local terms energy: -390.727708 where: bonds (distance) C4'-P energy: -62.519 bonds (distance) P-C4' energy: -73.881 flat angles C4'-P-C4' energy: -100.610 flat angles P-C4'-P energy: -45.526 tors. eta vs tors. theta energy: -108.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1260.689078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.689078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.689078 (E_RNA) where: Base-Base interactions energy: -851.110 where: short stacking energy: -345.525 Base-Backbone interact. energy: 1.542 local terms energy: -411.121543 where: bonds (distance) C4'-P energy: -59.261 bonds (distance) P-C4' energy: -94.081 flat angles C4'-P-C4' energy: -87.656 flat angles P-C4'-P energy: -61.511 tors. eta vs tors. theta energy: -108.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -1040.483154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.483154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.483154 (E_RNA) where: Base-Base interactions energy: -685.235 where: short stacking energy: -288.766 Base-Backbone interact. energy: -1.093 local terms energy: -354.154526 where: bonds (distance) C4'-P energy: -70.019 bonds (distance) P-C4' energy: -92.103 flat angles C4'-P-C4' energy: -86.509 flat angles P-C4'-P energy: -58.037 tors. eta vs tors. theta energy: -47.486 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: 10 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -743.673297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.673297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.673297 (E_RNA) where: Base-Base interactions energy: -448.997 where: short stacking energy: -220.596 Base-Backbone interact. energy: -2.223 local terms energy: -292.452593 where: bonds (distance) C4'-P energy: -81.838 bonds (distance) P-C4' energy: -75.963 flat angles C4'-P-C4' energy: -73.589 flat angles P-C4'-P energy: -31.951 tors. eta vs tors. theta energy: -29.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1904.117265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.117265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.117265 (E_RNA) where: Base-Base interactions energy: -1344.794 where: short stacking energy: -535.780 Base-Backbone interact. energy: -1.492 local terms energy: -557.830810 where: bonds (distance) C4'-P energy: -93.911 bonds (distance) P-C4' energy: -88.306 flat angles C4'-P-C4' energy: -124.421 flat angles P-C4'-P energy: -85.480 tors. eta vs tors. theta energy: -165.712 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: 3 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1793.326867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.326867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.326867 (E_RNA) where: Base-Base interactions energy: -1259.129 where: short stacking energy: -510.964 Base-Backbone interact. energy: 0.229 local terms energy: -534.426262 where: bonds (distance) C4'-P energy: -96.882 bonds (distance) P-C4' energy: -94.730 flat angles C4'-P-C4' energy: -110.665 flat angles P-C4'-P energy: -77.480 tors. eta vs tors. theta energy: -154.670 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: 3, replica: 8 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1738.689334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.689334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.689334 (E_RNA) where: Base-Base interactions energy: -1220.315 where: short stacking energy: -503.716 Base-Backbone interact. energy: -0.095 local terms energy: -518.279643 where: bonds (distance) C4'-P energy: -98.357 bonds (distance) P-C4' energy: -69.801 flat angles C4'-P-C4' energy: -117.931 flat angles P-C4'-P energy: -81.978 tors. eta vs tors. theta energy: -150.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1614.746856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.746856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.746856 (E_RNA) where: Base-Base interactions energy: -1117.519 where: short stacking energy: -441.657 Base-Backbone interact. energy: 0.168 local terms energy: -497.396329 where: bonds (distance) C4'-P energy: -87.699 bonds (distance) P-C4' energy: -95.133 flat angles C4'-P-C4' energy: -105.676 flat angles P-C4'-P energy: -75.791 tors. eta vs tors. theta energy: -133.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1573.751828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.751828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.751828 (E_RNA) where: Base-Base interactions energy: -1092.392 where: short stacking energy: -453.700 Base-Backbone interact. energy: -1.105 local terms energy: -480.254991 where: bonds (distance) C4'-P energy: -80.998 bonds (distance) P-C4' energy: -88.115 flat angles C4'-P-C4' energy: -105.236 flat angles P-C4'-P energy: -67.640 tors. eta vs tors. theta energy: -138.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1470.541096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.541096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.541096 (E_RNA) where: Base-Base interactions energy: -1030.932 where: short stacking energy: -421.476 Base-Backbone interact. energy: -0.135 local terms energy: -439.474062 where: bonds (distance) C4'-P energy: -77.936 bonds (distance) P-C4' energy: -96.604 flat angles C4'-P-C4' energy: -82.226 flat angles P-C4'-P energy: -64.368 tors. eta vs tors. theta energy: -118.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1330.193491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.193491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.193491 (E_RNA) where: Base-Base interactions energy: -897.599 where: short stacking energy: -372.235 Base-Backbone interact. energy: -1.569 local terms energy: -431.025293 where: bonds (distance) C4'-P energy: -84.728 bonds (distance) P-C4' energy: -78.948 flat angles C4'-P-C4' energy: -102.890 flat angles P-C4'-P energy: -64.551 tors. eta vs tors. theta energy: -99.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1247.853235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.853235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.853235 (E_RNA) where: Base-Base interactions energy: -849.214 where: short stacking energy: -352.265 Base-Backbone interact. energy: 5.060 local terms energy: -403.698767 where: bonds (distance) C4'-P energy: -87.390 bonds (distance) P-C4' energy: -77.140 flat angles C4'-P-C4' energy: -97.883 flat angles P-C4'-P energy: -49.233 tors. eta vs tors. theta energy: -92.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -1039.275927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.275927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.275927 (E_RNA) where: Base-Base interactions energy: -674.174 where: short stacking energy: -283.140 Base-Backbone interact. energy: -1.239 local terms energy: -363.862936 where: bonds (distance) C4'-P energy: -69.557 bonds (distance) P-C4' energy: -79.454 flat angles C4'-P-C4' energy: -93.115 flat angles P-C4'-P energy: -64.405 tors. eta vs tors. theta energy: -57.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -758.938480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.938480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.938480 (E_RNA) where: Base-Base interactions energy: -440.987 where: short stacking energy: -214.868 Base-Backbone interact. energy: 2.412 local terms energy: -320.363878 where: bonds (distance) C4'-P energy: -77.271 bonds (distance) P-C4' energy: -86.334 flat angles C4'-P-C4' energy: -88.910 flat angles P-C4'-P energy: -42.797 tors. eta vs tors. theta energy: -25.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1909.267517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.267517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.267517 (E_RNA) where: Base-Base interactions energy: -1352.354 where: short stacking energy: -542.583 Base-Backbone interact. energy: -1.075 local terms energy: -555.838298 where: bonds (distance) C4'-P energy: -93.069 bonds (distance) P-C4' energy: -99.051 flat angles C4'-P-C4' energy: -117.344 flat angles P-C4'-P energy: -81.987 tors. eta vs tors. theta energy: -164.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1819.763000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.763000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.763000 (E_RNA) where: Base-Base interactions energy: -1273.472 where: short stacking energy: -523.098 Base-Backbone interact. energy: -1.401 local terms energy: -544.889650 where: bonds (distance) C4'-P energy: -90.169 bonds (distance) P-C4' energy: -97.924 flat angles C4'-P-C4' energy: -114.843 flat angles P-C4'-P energy: -77.882 tors. eta vs tors. theta energy: -164.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1734.151380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.151380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.151380 (E_RNA) where: Base-Base interactions energy: -1211.403 where: short stacking energy: -491.233 Base-Backbone interact. energy: 1.567 local terms energy: -524.315657 where: bonds (distance) C4'-P energy: -103.525 bonds (distance) P-C4' energy: -93.450 flat angles C4'-P-C4' energy: -100.314 flat angles P-C4'-P energy: -78.641 tors. eta vs tors. theta energy: -148.387 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: 6 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1639.706205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.706205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.706205 (E_RNA) where: Base-Base interactions energy: -1144.653 where: short stacking energy: -466.055 Base-Backbone interact. energy: -1.154 local terms energy: -493.899355 where: bonds (distance) C4'-P energy: -97.016 bonds (distance) P-C4' energy: -81.826 flat angles C4'-P-C4' energy: -106.415 flat angles P-C4'-P energy: -71.790 tors. eta vs tors. theta energy: -136.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1589.298350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.298350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.298350 (E_RNA) where: Base-Base interactions energy: -1103.156 where: short stacking energy: -455.924 Base-Backbone interact. energy: -1.577 local terms energy: -484.565613 where: bonds (distance) C4'-P energy: -79.418 bonds (distance) P-C4' energy: -86.060 flat angles C4'-P-C4' energy: -110.162 flat angles P-C4'-P energy: -74.680 tors. eta vs tors. theta energy: -134.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1472.226193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.226193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.226193 (E_RNA) where: Base-Base interactions energy: -1029.992 where: short stacking energy: -430.104 Base-Backbone interact. energy: 0.066 local terms energy: -442.299859 where: bonds (distance) C4'-P energy: -74.619 bonds (distance) P-C4' energy: -75.331 flat angles C4'-P-C4' energy: -92.965 flat angles P-C4'-P energy: -73.009 tors. eta vs tors. theta energy: -126.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1327.944376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.944376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.944376 (E_RNA) where: Base-Base interactions energy: -899.268 where: short stacking energy: -381.115 Base-Backbone interact. energy: -1.248 local terms energy: -427.428017 where: bonds (distance) C4'-P energy: -84.745 bonds (distance) P-C4' energy: -88.772 flat angles C4'-P-C4' energy: -95.636 flat angles P-C4'-P energy: -53.087 tors. eta vs tors. theta energy: -105.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1272.114838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.114838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.114838 (E_RNA) where: Base-Base interactions energy: -856.591 where: short stacking energy: -361.113 Base-Backbone interact. energy: 0.769 local terms energy: -416.293404 where: bonds (distance) C4'-P energy: -80.354 bonds (distance) P-C4' energy: -93.107 flat angles C4'-P-C4' energy: -86.440 flat angles P-C4'-P energy: -59.106 tors. eta vs tors. theta energy: -97.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -1061.701169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.701169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.701169 (E_RNA) where: Base-Base interactions energy: -691.906 where: short stacking energy: -300.993 Base-Backbone interact. energy: -0.504 local terms energy: -369.291274 where: bonds (distance) C4'-P energy: -91.918 bonds (distance) P-C4' energy: -77.714 flat angles C4'-P-C4' energy: -79.703 flat angles P-C4'-P energy: -49.721 tors. eta vs tors. theta energy: -70.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -786.031525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.031525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.031525 (E_RNA) where: Base-Base interactions energy: -474.023 where: short stacking energy: -213.104 Base-Backbone interact. energy: -0.978 local terms energy: -311.030912 where: bonds (distance) C4'-P energy: -78.607 bonds (distance) P-C4' energy: -80.552 flat angles C4'-P-C4' energy: -74.417 flat angles P-C4'-P energy: -44.954 tors. eta vs tors. theta energy: -32.502 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: 1, replica: 2 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1885.493011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.493011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.493011 (E_RNA) where: Base-Base interactions energy: -1334.861 where: short stacking energy: -545.001 Base-Backbone interact. energy: -1.336 local terms energy: -549.296793 where: bonds (distance) C4'-P energy: -95.805 bonds (distance) P-C4' energy: -103.283 flat angles C4'-P-C4' energy: -111.752 flat angles P-C4'-P energy: -72.436 tors. eta vs tors. theta energy: -166.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1787.234104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.234104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.234104 (E_RNA) where: Base-Base interactions energy: -1252.780 where: short stacking energy: -501.552 Base-Backbone interact. energy: -1.104 local terms energy: -533.350183 where: bonds (distance) C4'-P energy: -102.582 bonds (distance) P-C4' energy: -84.637 flat angles C4'-P-C4' energy: -102.309 flat angles P-C4'-P energy: -91.784 tors. eta vs tors. theta energy: -152.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1717.832271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.832271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.832271 (E_RNA) where: Base-Base interactions energy: -1188.185 where: short stacking energy: -480.764 Base-Backbone interact. energy: -1.239 local terms energy: -528.408333 where: bonds (distance) C4'-P energy: -97.649 bonds (distance) P-C4' energy: -96.157 flat angles C4'-P-C4' energy: -108.464 flat angles P-C4'-P energy: -75.989 tors. eta vs tors. theta energy: -150.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1649.739601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.739601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.739601 (E_RNA) where: Base-Base interactions energy: -1149.438 where: short stacking energy: -456.507 Base-Backbone interact. energy: 0.873 local terms energy: -501.174622 where: bonds (distance) C4'-P energy: -90.486 bonds (distance) P-C4' energy: -91.360 flat angles C4'-P-C4' energy: -98.769 flat angles P-C4'-P energy: -71.017 tors. eta vs tors. theta energy: -149.543 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: 311 Temperature: 1.100000 Total energy: -1607.051328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.051328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.051328 (E_RNA) where: Base-Base interactions energy: -1128.130 where: short stacking energy: -449.563 Base-Backbone interact. energy: -1.504 local terms energy: -477.416945 where: bonds (distance) C4'-P energy: -77.528 bonds (distance) P-C4' energy: -92.319 flat angles C4'-P-C4' energy: -99.187 flat angles P-C4'-P energy: -64.422 tors. eta vs tors. theta energy: -143.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1460.815797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.815797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.815797 (E_RNA) where: Base-Base interactions energy: -1023.373 where: short stacking energy: -428.015 Base-Backbone interact. energy: -1.121 local terms energy: -436.321598 where: bonds (distance) C4'-P energy: -84.112 bonds (distance) P-C4' energy: -72.504 flat angles C4'-P-C4' energy: -93.124 flat angles P-C4'-P energy: -68.330 tors. eta vs tors. theta energy: -118.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1318.209863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.209863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.209863 (E_RNA) where: Base-Base interactions energy: -886.413 where: short stacking energy: -387.455 Base-Backbone interact. energy: -1.267 local terms energy: -430.530075 where: bonds (distance) C4'-P energy: -84.216 bonds (distance) P-C4' energy: -82.489 flat angles C4'-P-C4' energy: -97.900 flat angles P-C4'-P energy: -55.241 tors. eta vs tors. theta energy: -110.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1279.720924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.720924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.720924 (E_RNA) where: Base-Base interactions energy: -869.291 where: short stacking energy: -369.359 Base-Backbone interact. energy: -0.684 local terms energy: -409.745986 where: bonds (distance) C4'-P energy: -85.792 bonds (distance) P-C4' energy: -81.251 flat angles C4'-P-C4' energy: -92.309 flat angles P-C4'-P energy: -50.167 tors. eta vs tors. theta energy: -100.227 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: 9, replica: 9 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -1077.678761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.678761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.678761 (E_RNA) where: Base-Base interactions energy: -715.999 where: short stacking energy: -290.788 Base-Backbone interact. energy: 0.081 local terms energy: -361.761463 where: bonds (distance) C4'-P energy: -78.015 bonds (distance) P-C4' energy: -83.955 flat angles C4'-P-C4' energy: -84.155 flat angles P-C4'-P energy: -47.246 tors. eta vs tors. theta energy: -68.391 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: 10 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -770.073787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.073787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.073787 (E_RNA) where: Base-Base interactions energy: -450.025 where: short stacking energy: -215.015 Base-Backbone interact. energy: -1.442 local terms energy: -318.606711 where: bonds (distance) C4'-P energy: -86.604 bonds (distance) P-C4' energy: -75.904 flat angles C4'-P-C4' energy: -82.052 flat angles P-C4'-P energy: -39.961 tors. eta vs tors. theta energy: -34.085 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: 2 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1877.311413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.311413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.311413 (E_RNA) where: Base-Base interactions energy: -1319.524 where: short stacking energy: -536.058 Base-Backbone interact. energy: 0.038 local terms energy: -557.824923 where: bonds (distance) C4'-P energy: -89.383 bonds (distance) P-C4' energy: -101.338 flat angles C4'-P-C4' energy: -116.418 flat angles P-C4'-P energy: -81.395 tors. eta vs tors. theta energy: -169.291 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: 2, replica: 3 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1795.920765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.920765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.920765 (E_RNA) where: Base-Base interactions energy: -1260.813 where: short stacking energy: -512.517 Base-Backbone interact. energy: -0.372 local terms energy: -534.735492 where: bonds (distance) C4'-P energy: -97.894 bonds (distance) P-C4' energy: -92.278 flat angles C4'-P-C4' energy: -112.804 flat angles P-C4'-P energy: -79.597 tors. eta vs tors. theta energy: -152.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1729.884870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.884870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.884870 (E_RNA) where: Base-Base interactions energy: -1220.375 where: short stacking energy: -490.019 Base-Backbone interact. energy: -1.900 local terms energy: -507.610181 where: bonds (distance) C4'-P energy: -90.063 bonds (distance) P-C4' energy: -92.038 flat angles C4'-P-C4' energy: -104.256 flat angles P-C4'-P energy: -70.641 tors. eta vs tors. theta energy: -150.613 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: 6 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1651.797510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.797510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.797510 (E_RNA) where: Base-Base interactions energy: -1176.846 where: short stacking energy: -468.738 Base-Backbone interact. energy: -0.144 local terms energy: -474.806874 where: bonds (distance) C4'-P energy: -75.829 bonds (distance) P-C4' energy: -88.349 flat angles C4'-P-C4' energy: -103.961 flat angles P-C4'-P energy: -62.106 tors. eta vs tors. theta energy: -144.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1586.648655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.648655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.648655 (E_RNA) where: Base-Base interactions energy: -1117.852 where: short stacking energy: -470.461 Base-Backbone interact. energy: -0.587 local terms energy: -468.209151 where: bonds (distance) C4'-P energy: -64.652 bonds (distance) P-C4' energy: -86.077 flat angles C4'-P-C4' energy: -110.219 flat angles P-C4'-P energy: -59.823 tors. eta vs tors. theta energy: -147.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1469.602810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.602810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.602810 (E_RNA) where: Base-Base interactions energy: -1037.150 where: short stacking energy: -420.280 Base-Backbone interact. energy: -0.806 local terms energy: -431.646908 where: bonds (distance) C4'-P energy: -81.187 bonds (distance) P-C4' energy: -81.112 flat angles C4'-P-C4' energy: -89.674 flat angles P-C4'-P energy: -48.422 tors. eta vs tors. theta energy: -131.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1302.141860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.141860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.141860 (E_RNA) where: Base-Base interactions energy: -883.633 where: short stacking energy: -369.478 Base-Backbone interact. energy: 1.189 local terms energy: -419.697444 where: bonds (distance) C4'-P energy: -78.320 bonds (distance) P-C4' energy: -76.546 flat angles C4'-P-C4' energy: -91.846 flat angles P-C4'-P energy: -58.859 tors. eta vs tors. theta energy: -114.127 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: 5 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1278.984002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.984002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.984002 (E_RNA) where: Base-Base interactions energy: -861.263 where: short stacking energy: -354.341 Base-Backbone interact. energy: -0.459 local terms energy: -417.261999 where: bonds (distance) C4'-P energy: -88.831 bonds (distance) P-C4' energy: -92.609 flat angles C4'-P-C4' energy: -83.781 flat angles P-C4'-P energy: -53.076 tors. eta vs tors. theta energy: -98.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -1082.003973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.003973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.003973 (E_RNA) where: Base-Base interactions energy: -739.334 where: short stacking energy: -296.198 Base-Backbone interact. energy: 1.941 local terms energy: -344.611765 where: bonds (distance) C4'-P energy: -79.150 bonds (distance) P-C4' energy: -81.075 flat angles C4'-P-C4' energy: -64.127 flat angles P-C4'-P energy: -50.130 tors. eta vs tors. theta energy: -70.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -766.962470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.962470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.962470 (E_RNA) where: Base-Base interactions energy: -476.613 where: short stacking energy: -227.253 Base-Backbone interact. energy: -2.294 local terms energy: -288.055143 where: bonds (distance) C4'-P energy: -78.039 bonds (distance) P-C4' energy: -62.366 flat angles C4'-P-C4' energy: -74.779 flat angles P-C4'-P energy: -41.638 tors. eta vs tors. theta energy: -31.233 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: 2 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1899.507211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.507211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.507211 (E_RNA) where: Base-Base interactions energy: -1345.178 where: short stacking energy: -540.624 Base-Backbone interact. energy: -1.671 local terms energy: -552.657972 where: bonds (distance) C4'-P energy: -86.805 bonds (distance) P-C4' energy: -100.712 flat angles C4'-P-C4' energy: -118.568 flat angles P-C4'-P energy: -85.289 tors. eta vs tors. theta energy: -161.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1796.691806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.691806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.691806 (E_RNA) where: Base-Base interactions energy: -1257.215 where: short stacking energy: -515.366 Base-Backbone interact. energy: -2.412 local terms energy: -537.064994 where: bonds (distance) C4'-P energy: -81.792 bonds (distance) P-C4' energy: -100.765 flat angles C4'-P-C4' energy: -117.807 flat angles P-C4'-P energy: -80.291 tors. eta vs tors. theta energy: -156.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1735.704205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.704205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.704205 (E_RNA) where: Base-Base interactions energy: -1212.274 where: short stacking energy: -501.115 Base-Backbone interact. energy: -2.362 local terms energy: -521.068350 where: bonds (distance) C4'-P energy: -84.398 bonds (distance) P-C4' energy: -100.807 flat angles C4'-P-C4' energy: -108.745 flat angles P-C4'-P energy: -73.397 tors. eta vs tors. theta energy: -153.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1668.665189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.665189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.665189 (E_RNA) where: Base-Base interactions energy: -1162.860 where: short stacking energy: -482.876 Base-Backbone interact. energy: 0.152 local terms energy: -505.956540 where: bonds (distance) C4'-P energy: -87.492 bonds (distance) P-C4' energy: -92.025 flat angles C4'-P-C4' energy: -98.759 flat angles P-C4'-P energy: -76.864 tors. eta vs tors. theta energy: -150.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1575.873813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.873813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.873813 (E_RNA) where: Base-Base interactions energy: -1115.735 where: short stacking energy: -468.905 Base-Backbone interact. energy: 1.642 local terms energy: -461.781291 where: bonds (distance) C4'-P energy: -73.141 bonds (distance) P-C4' energy: -80.601 flat angles C4'-P-C4' energy: -97.343 flat angles P-C4'-P energy: -67.670 tors. eta vs tors. theta energy: -143.026 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: 4 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1449.062520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.062520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.062520 (E_RNA) where: Base-Base interactions energy: -1014.454 where: short stacking energy: -401.375 Base-Backbone interact. energy: 3.668 local terms energy: -438.276383 where: bonds (distance) C4'-P energy: -87.612 bonds (distance) P-C4' energy: -78.763 flat angles C4'-P-C4' energy: -92.678 flat angles P-C4'-P energy: -62.530 tors. eta vs tors. theta energy: -116.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1337.040562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.040562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.040562 (E_RNA) where: Base-Base interactions energy: -902.348 where: short stacking energy: -386.341 Base-Backbone interact. energy: 0.901 local terms energy: -435.593180 where: bonds (distance) C4'-P energy: -76.533 bonds (distance) P-C4' energy: -84.559 flat angles C4'-P-C4' energy: -100.873 flat angles P-C4'-P energy: -62.371 tors. eta vs tors. theta energy: -111.257 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: 8, replica: 5 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1313.216030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.216030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.216030 (E_RNA) where: Base-Base interactions energy: -882.756 where: short stacking energy: -375.911 Base-Backbone interact. energy: 3.371 local terms energy: -433.830662 where: bonds (distance) C4'-P energy: -77.296 bonds (distance) P-C4' energy: -98.855 flat angles C4'-P-C4' energy: -98.070 flat angles P-C4'-P energy: -53.263 tors. eta vs tors. theta energy: -106.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -1102.698448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.698448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.698448 (E_RNA) where: Base-Base interactions energy: -715.350 where: short stacking energy: -320.913 Base-Backbone interact. energy: 0.803 local terms energy: -388.151885 where: bonds (distance) C4'-P energy: -74.232 bonds (distance) P-C4' energy: -102.036 flat angles C4'-P-C4' energy: -92.582 flat angles P-C4'-P energy: -32.092 tors. eta vs tors. theta energy: -87.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -771.774689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.774689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.774689 (E_RNA) where: Base-Base interactions energy: -469.564 where: short stacking energy: -213.258 Base-Backbone interact. energy: 1.487 local terms energy: -303.696927 where: bonds (distance) C4'-P energy: -79.914 bonds (distance) P-C4' energy: -63.628 flat angles C4'-P-C4' energy: -78.508 flat angles P-C4'-P energy: -52.013 tors. eta vs tors. theta energy: -29.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1918.915964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.915964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.915964 (E_RNA) where: Base-Base interactions energy: -1372.528 where: short stacking energy: -545.893 Base-Backbone interact. energy: -0.669 local terms energy: -545.719716 where: bonds (distance) C4'-P energy: -92.888 bonds (distance) P-C4' energy: -91.457 flat angles C4'-P-C4' energy: -108.468 flat angles P-C4'-P energy: -79.455 tors. eta vs tors. theta energy: -173.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1795.573671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.573671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.573671 (E_RNA) where: Base-Base interactions energy: -1281.401 where: short stacking energy: -526.556 Base-Backbone interact. energy: 1.021 local terms energy: -515.193380 where: bonds (distance) C4'-P energy: -83.245 bonds (distance) P-C4' energy: -92.032 flat angles C4'-P-C4' energy: -114.529 flat angles P-C4'-P energy: -74.889 tors. eta vs tors. theta energy: -150.498 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: 8 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1736.053774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.053774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.053774 (E_RNA) where: Base-Base interactions energy: -1212.011 where: short stacking energy: -491.721 Base-Backbone interact. energy: 1.738 local terms energy: -525.781362 where: bonds (distance) C4'-P energy: -90.598 bonds (distance) P-C4' energy: -97.420 flat angles C4'-P-C4' energy: -105.891 flat angles P-C4'-P energy: -77.540 tors. eta vs tors. theta energy: -154.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1642.758271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.758271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.758271 (E_RNA) where: Base-Base interactions energy: -1149.550 where: short stacking energy: -474.426 Base-Backbone interact. energy: -0.211 local terms energy: -492.996808 where: bonds (distance) C4'-P energy: -85.095 bonds (distance) P-C4' energy: -88.332 flat angles C4'-P-C4' energy: -111.986 flat angles P-C4'-P energy: -64.336 tors. eta vs tors. theta energy: -143.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1563.883056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.883056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.883056 (E_RNA) where: Base-Base interactions energy: -1080.830 where: short stacking energy: -447.099 Base-Backbone interact. energy: 0.889 local terms energy: -483.942190 where: bonds (distance) C4'-P energy: -92.914 bonds (distance) P-C4' energy: -92.365 flat angles C4'-P-C4' energy: -97.172 flat angles P-C4'-P energy: -72.790 tors. eta vs tors. theta energy: -128.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1504.842329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.842329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.842329 (E_RNA) where: Base-Base interactions energy: -1045.877 where: short stacking energy: -421.447 Base-Backbone interact. energy: 5.466 local terms energy: -464.431208 where: bonds (distance) C4'-P energy: -85.128 bonds (distance) P-C4' energy: -79.946 flat angles C4'-P-C4' energy: -105.489 flat angles P-C4'-P energy: -65.046 tors. eta vs tors. theta energy: -128.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1306.051985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.051985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.051985 (E_RNA) where: Base-Base interactions energy: -888.128 where: short stacking energy: -365.610 Base-Backbone interact. energy: 2.883 local terms energy: -420.806796 where: bonds (distance) C4'-P energy: -79.695 bonds (distance) P-C4' energy: -71.161 flat angles C4'-P-C4' energy: -101.752 flat angles P-C4'-P energy: -55.597 tors. eta vs tors. theta energy: -112.601 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: 1 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1289.720248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.720248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.720248 (E_RNA) where: Base-Base interactions energy: -873.345 where: short stacking energy: -372.990 Base-Backbone interact. energy: -1.504 local terms energy: -414.871500 where: bonds (distance) C4'-P energy: -83.944 bonds (distance) P-C4' energy: -76.463 flat angles C4'-P-C4' energy: -103.501 flat angles P-C4'-P energy: -57.604 tors. eta vs tors. theta energy: -93.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -1090.125703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.125703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.125703 (E_RNA) where: Base-Base interactions energy: -739.306 where: short stacking energy: -307.461 Base-Backbone interact. energy: -2.182 local terms energy: -348.637612 where: bonds (distance) C4'-P energy: -64.923 bonds (distance) P-C4' energy: -90.723 flat angles C4'-P-C4' energy: -75.052 flat angles P-C4'-P energy: -58.756 tors. eta vs tors. theta energy: -59.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -761.609055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.609055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.609055 (E_RNA) where: Base-Base interactions energy: -449.721 where: short stacking energy: -220.218 Base-Backbone interact. energy: -1.034 local terms energy: -310.854297 where: bonds (distance) C4'-P energy: -86.160 bonds (distance) P-C4' energy: -71.623 flat angles C4'-P-C4' energy: -69.955 flat angles P-C4'-P energy: -52.850 tors. eta vs tors. theta energy: -30.267 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: 315 Temperature: 0.900000 Total energy: -1903.731410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.731410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.731410 (E_RNA) where: Base-Base interactions energy: -1340.807 where: short stacking energy: -543.516 Base-Backbone interact. energy: 0.598 local terms energy: -563.522210 where: bonds (distance) C4'-P energy: -95.336 bonds (distance) P-C4' energy: -100.206 flat angles C4'-P-C4' energy: -107.790 flat angles P-C4'-P energy: -91.182 tors. eta vs tors. theta energy: -169.009 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: 8 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1772.402330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.402330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.402330 (E_RNA) where: Base-Base interactions energy: -1236.555 where: short stacking energy: -492.533 Base-Backbone interact. energy: -1.404 local terms energy: -534.442363 where: bonds (distance) C4'-P energy: -95.695 bonds (distance) P-C4' energy: -94.344 flat angles C4'-P-C4' energy: -115.400 flat angles P-C4'-P energy: -79.035 tors. eta vs tors. theta energy: -149.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1760.550341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.550341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.550341 (E_RNA) where: Base-Base interactions energy: -1244.570 where: short stacking energy: -500.444 Base-Backbone interact. energy: -1.040 local terms energy: -514.940011 where: bonds (distance) C4'-P energy: -85.641 bonds (distance) P-C4' energy: -94.875 flat angles C4'-P-C4' energy: -114.195 flat angles P-C4'-P energy: -63.735 tors. eta vs tors. theta energy: -156.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1656.977018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.977018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.977018 (E_RNA) where: Base-Base interactions energy: -1160.690 where: short stacking energy: -465.522 Base-Backbone interact. energy: -3.875 local terms energy: -492.411710 where: bonds (distance) C4'-P energy: -81.502 bonds (distance) P-C4' energy: -90.128 flat angles C4'-P-C4' energy: -103.469 flat angles P-C4'-P energy: -69.201 tors. eta vs tors. theta energy: -148.112 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: 6 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -1595.936024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.936024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.936024 (E_RNA) where: Base-Base interactions energy: -1125.430 where: short stacking energy: -463.324 Base-Backbone interact. energy: -0.611 local terms energy: -469.894630 where: bonds (distance) C4'-P energy: -85.031 bonds (distance) P-C4' energy: -77.980 flat angles C4'-P-C4' energy: -92.544 flat angles P-C4'-P energy: -72.867 tors. eta vs tors. theta energy: -141.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1524.487573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.487573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.487573 (E_RNA) where: Base-Base interactions energy: -1068.348 where: short stacking energy: -445.006 Base-Backbone interact. energy: 1.523 local terms energy: -457.662499 where: bonds (distance) C4'-P energy: -84.498 bonds (distance) P-C4' energy: -78.561 flat angles C4'-P-C4' energy: -95.374 flat angles P-C4'-P energy: -64.871 tors. eta vs tors. theta energy: -134.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1295.205397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.205397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.205397 (E_RNA) where: Base-Base interactions energy: -874.979 where: short stacking energy: -358.339 Base-Backbone interact. energy: -1.829 local terms energy: -418.397045 where: bonds (distance) C4'-P energy: -74.228 bonds (distance) P-C4' energy: -85.471 flat angles C4'-P-C4' energy: -88.678 flat angles P-C4'-P energy: -60.264 tors. eta vs tors. theta energy: -109.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1282.745410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.745410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.745410 (E_RNA) where: Base-Base interactions energy: -869.809 where: short stacking energy: -371.166 Base-Backbone interact. energy: 1.093 local terms energy: -414.029197 where: bonds (distance) C4'-P energy: -76.651 bonds (distance) P-C4' energy: -81.907 flat angles C4'-P-C4' energy: -96.517 flat angles P-C4'-P energy: -48.675 tors. eta vs tors. theta energy: -110.279 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: 9, replica: 9 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -1114.491646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.491646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.491646 (E_RNA) where: Base-Base interactions energy: -732.707 where: short stacking energy: -313.812 Base-Backbone interact. energy: -0.530 local terms energy: -381.254683 where: bonds (distance) C4'-P energy: -70.884 bonds (distance) P-C4' energy: -86.505 flat angles C4'-P-C4' energy: -87.657 flat angles P-C4'-P energy: -55.933 tors. eta vs tors. theta energy: -80.276 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: 315 Temperature: 1.350000 Total energy: -750.099165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.099165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.099165 (E_RNA) where: Base-Base interactions energy: -470.470 where: short stacking energy: -214.663 Base-Backbone interact. energy: 1.351 local terms energy: -280.979643 where: bonds (distance) C4'-P energy: -54.559 bonds (distance) P-C4' energy: -75.997 flat angles C4'-P-C4' energy: -80.099 flat angles P-C4'-P energy: -37.284 tors. eta vs tors. theta energy: -33.040 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: 2 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1889.146540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.146540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.146540 (E_RNA) where: Base-Base interactions energy: -1350.380 where: short stacking energy: -545.068 Base-Backbone interact. energy: 0.996 local terms energy: -539.762251 where: bonds (distance) C4'-P energy: -90.472 bonds (distance) P-C4' energy: -81.250 flat angles C4'-P-C4' energy: -115.184 flat angles P-C4'-P energy: -85.494 tors. eta vs tors. theta energy: -167.362 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: 8 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1765.892197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.892197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.892197 (E_RNA) where: Base-Base interactions energy: -1233.756 where: short stacking energy: -494.191 Base-Backbone interact. energy: -0.338 local terms energy: -531.798865 where: bonds (distance) C4'-P energy: -96.716 bonds (distance) P-C4' energy: -86.838 flat angles C4'-P-C4' energy: -104.874 flat angles P-C4'-P energy: -83.517 tors. eta vs tors. theta energy: -159.853 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: 3 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1758.791915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.791915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.791915 (E_RNA) where: Base-Base interactions energy: -1238.219 where: short stacking energy: -497.304 Base-Backbone interact. energy: 4.301 local terms energy: -524.874569 where: bonds (distance) C4'-P energy: -89.370 bonds (distance) P-C4' energy: -99.792 flat angles C4'-P-C4' energy: -105.096 flat angles P-C4'-P energy: -78.005 tors. eta vs tors. theta energy: -152.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1681.271409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.271409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.271409 (E_RNA) where: Base-Base interactions energy: -1171.904 where: short stacking energy: -480.736 Base-Backbone interact. energy: -0.026 local terms energy: -509.342045 where: bonds (distance) C4'-P energy: -98.877 bonds (distance) P-C4' energy: -77.158 flat angles C4'-P-C4' energy: -102.619 flat angles P-C4'-P energy: -79.415 tors. eta vs tors. theta energy: -151.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1601.581478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.581478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.581478 (E_RNA) where: Base-Base interactions energy: -1133.484 where: short stacking energy: -455.429 Base-Backbone interact. energy: 0.560 local terms energy: -468.658249 where: bonds (distance) C4'-P energy: -89.019 bonds (distance) P-C4' energy: -84.612 flat angles C4'-P-C4' energy: -101.052 flat angles P-C4'-P energy: -58.822 tors. eta vs tors. theta energy: -135.153 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: 4 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1519.550693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.550693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.550693 (E_RNA) where: Base-Base interactions energy: -1055.606 where: short stacking energy: -429.667 Base-Backbone interact. energy: -1.624 local terms energy: -462.319936 where: bonds (distance) C4'-P energy: -77.028 bonds (distance) P-C4' energy: -90.221 flat angles C4'-P-C4' energy: -102.062 flat angles P-C4'-P energy: -56.363 tors. eta vs tors. theta energy: -136.645 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: 1 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1308.587755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.587755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.587755 (E_RNA) where: Base-Base interactions energy: -890.050 where: short stacking energy: -371.120 Base-Backbone interact. energy: 1.689 local terms energy: -420.227350 where: bonds (distance) C4'-P energy: -83.168 bonds (distance) P-C4' energy: -77.369 flat angles C4'-P-C4' energy: -98.402 flat angles P-C4'-P energy: -58.215 tors. eta vs tors. theta energy: -103.073 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: 5 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1269.967555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.967555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.967555 (E_RNA) where: Base-Base interactions energy: -854.636 where: short stacking energy: -352.365 Base-Backbone interact. energy: 1.038 local terms energy: -416.369052 where: bonds (distance) C4'-P energy: -81.051 bonds (distance) P-C4' energy: -79.444 flat angles C4'-P-C4' energy: -96.603 flat angles P-C4'-P energy: -55.966 tors. eta vs tors. theta energy: -103.305 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: 9 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -1134.301060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.301060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.301060 (E_RNA) where: Base-Base interactions energy: -765.618 where: short stacking energy: -332.912 Base-Backbone interact. energy: -0.456 local terms energy: -368.226955 where: bonds (distance) C4'-P energy: -70.451 bonds (distance) P-C4' energy: -85.070 flat angles C4'-P-C4' energy: -90.408 flat angles P-C4'-P energy: -43.283 tors. eta vs tors. theta energy: -79.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -788.779838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.779838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.779838 (E_RNA) where: Base-Base interactions energy: -475.649 where: short stacking energy: -215.203 Base-Backbone interact. energy: 2.125 local terms energy: -315.255973 where: bonds (distance) C4'-P energy: -92.156 bonds (distance) P-C4' energy: -79.581 flat angles C4'-P-C4' energy: -71.463 flat angles P-C4'-P energy: -40.101 tors. eta vs tors. theta energy: -31.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1899.500272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.500272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.500272 (E_RNA) where: Base-Base interactions energy: -1359.203 where: short stacking energy: -532.582 Base-Backbone interact. energy: -2.641 local terms energy: -537.656303 where: bonds (distance) C4'-P energy: -97.380 bonds (distance) P-C4' energy: -89.403 flat angles C4'-P-C4' energy: -110.020 flat angles P-C4'-P energy: -84.161 tors. eta vs tors. theta energy: -156.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1778.499329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.499329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.499329 (E_RNA) where: Base-Base interactions energy: -1236.402 where: short stacking energy: -488.313 Base-Backbone interact. energy: 0.373 local terms energy: -542.470124 where: bonds (distance) C4'-P energy: -91.119 bonds (distance) P-C4' energy: -104.057 flat angles C4'-P-C4' energy: -113.564 flat angles P-C4'-P energy: -74.174 tors. eta vs tors. theta energy: -159.557 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: 3, replica: 3 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1731.348232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.348232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.348232 (E_RNA) where: Base-Base interactions energy: -1216.966 where: short stacking energy: -490.346 Base-Backbone interact. energy: -0.993 local terms energy: -513.388984 where: bonds (distance) C4'-P energy: -103.256 bonds (distance) P-C4' energy: -97.290 flat angles C4'-P-C4' energy: -100.434 flat angles P-C4'-P energy: -63.994 tors. eta vs tors. theta energy: -148.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1655.635308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.635308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.635308 (E_RNA) where: Base-Base interactions energy: -1141.142 where: short stacking energy: -473.818 Base-Backbone interact. energy: -1.718 local terms energy: -512.775836 where: bonds (distance) C4'-P energy: -92.481 bonds (distance) P-C4' energy: -94.482 flat angles C4'-P-C4' energy: -107.446 flat angles P-C4'-P energy: -64.205 tors. eta vs tors. theta energy: -154.162 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: 317 Temperature: 1.100000 Total energy: -1582.360033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.360033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.360033 (E_RNA) where: Base-Base interactions energy: -1107.464 where: short stacking energy: -435.947 Base-Backbone interact. energy: -0.102 local terms energy: -474.794504 where: bonds (distance) C4'-P energy: -82.231 bonds (distance) P-C4' energy: -88.514 flat angles C4'-P-C4' energy: -94.830 flat angles P-C4'-P energy: -74.807 tors. eta vs tors. theta energy: -134.413 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: 317 Temperature: 1.150000 Total energy: -1495.429754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.429754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.429754 (E_RNA) where: Base-Base interactions energy: -1027.177 where: short stacking energy: -417.079 Base-Backbone interact. energy: 1.688 local terms energy: -469.941104 where: bonds (distance) C4'-P energy: -91.453 bonds (distance) P-C4' energy: -85.584 flat angles C4'-P-C4' energy: -92.651 flat angles P-C4'-P energy: -75.515 tors. eta vs tors. theta energy: -124.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1311.663266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.663266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.663266 (E_RNA) where: Base-Base interactions energy: -891.225 where: short stacking energy: -383.686 Base-Backbone interact. energy: 0.448 local terms energy: -420.887039 where: bonds (distance) C4'-P energy: -82.921 bonds (distance) P-C4' energy: -81.767 flat angles C4'-P-C4' energy: -92.882 flat angles P-C4'-P energy: -56.279 tors. eta vs tors. theta energy: -107.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1263.012748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.012748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.012748 (E_RNA) where: Base-Base interactions energy: -876.598 where: short stacking energy: -359.847 Base-Backbone interact. energy: -2.287 local terms energy: -384.127937 where: bonds (distance) C4'-P energy: -65.517 bonds (distance) P-C4' energy: -83.149 flat angles C4'-P-C4' energy: -92.997 flat angles P-C4'-P energy: -42.150 tors. eta vs tors. theta energy: -100.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -1085.614424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.614424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.614424 (E_RNA) where: Base-Base interactions energy: -698.062 where: short stacking energy: -308.634 Base-Backbone interact. energy: -2.009 local terms energy: -385.543335 where: bonds (distance) C4'-P energy: -85.469 bonds (distance) P-C4' energy: -88.689 flat angles C4'-P-C4' energy: -81.117 flat angles P-C4'-P energy: -48.851 tors. eta vs tors. theta energy: -81.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -811.860008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.860008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.860008 (E_RNA) where: Base-Base interactions energy: -505.199 where: short stacking energy: -231.740 Base-Backbone interact. energy: -2.649 local terms energy: -304.011911 where: bonds (distance) C4'-P energy: -83.399 bonds (distance) P-C4' energy: -75.404 flat angles C4'-P-C4' energy: -64.685 flat angles P-C4'-P energy: -37.612 tors. eta vs tors. theta energy: -42.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1902.720919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.720919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.720919 (E_RNA) where: Base-Base interactions energy: -1370.094 where: short stacking energy: -542.476 Base-Backbone interact. energy: -1.501 local terms energy: -531.125200 where: bonds (distance) C4'-P energy: -89.386 bonds (distance) P-C4' energy: -92.792 flat angles C4'-P-C4' energy: -112.112 flat angles P-C4'-P energy: -75.603 tors. eta vs tors. theta energy: -161.232 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: 8 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1787.323764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.323764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.323764 (E_RNA) where: Base-Base interactions energy: -1273.867 where: short stacking energy: -502.589 Base-Backbone interact. energy: -0.796 local terms energy: -512.661605 where: bonds (distance) C4'-P energy: -79.240 bonds (distance) P-C4' energy: -92.097 flat angles C4'-P-C4' energy: -114.273 flat angles P-C4'-P energy: -80.642 tors. eta vs tors. theta energy: -146.408 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: 3 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1759.233503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.233503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.233503 (E_RNA) where: Base-Base interactions energy: -1233.749 where: short stacking energy: -509.784 Base-Backbone interact. energy: -1.174 local terms energy: -524.310446 where: bonds (distance) C4'-P energy: -96.155 bonds (distance) P-C4' energy: -91.499 flat angles C4'-P-C4' energy: -105.360 flat angles P-C4'-P energy: -76.745 tors. eta vs tors. theta energy: -154.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1633.890482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.890482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.890482 (E_RNA) where: Base-Base interactions energy: -1124.782 where: short stacking energy: -464.604 Base-Backbone interact. energy: -1.622 local terms energy: -507.486366 where: bonds (distance) C4'-P energy: -88.290 bonds (distance) P-C4' energy: -90.217 flat angles C4'-P-C4' energy: -115.800 flat angles P-C4'-P energy: -69.604 tors. eta vs tors. theta energy: -143.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1568.767323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.767323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.767323 (E_RNA) where: Base-Base interactions energy: -1094.805 where: short stacking energy: -442.840 Base-Backbone interact. energy: -0.365 local terms energy: -473.598143 where: bonds (distance) C4'-P energy: -89.244 bonds (distance) P-C4' energy: -75.851 flat angles C4'-P-C4' energy: -97.843 flat angles P-C4'-P energy: -71.231 tors. eta vs tors. theta energy: -139.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1453.364500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.364500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.364500 (E_RNA) where: Base-Base interactions energy: -1009.138 where: short stacking energy: -426.476 Base-Backbone interact. energy: -3.179 local terms energy: -441.047433 where: bonds (distance) C4'-P energy: -72.572 bonds (distance) P-C4' energy: -78.880 flat angles C4'-P-C4' energy: -100.853 flat angles P-C4'-P energy: -62.492 tors. eta vs tors. theta energy: -126.250 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: 5 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1327.111762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.111762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.111762 (E_RNA) where: Base-Base interactions energy: -897.841 where: short stacking energy: -370.276 Base-Backbone interact. energy: -2.415 local terms energy: -426.856651 where: bonds (distance) C4'-P energy: -95.787 bonds (distance) P-C4' energy: -81.244 flat angles C4'-P-C4' energy: -90.294 flat angles P-C4'-P energy: -51.027 tors. eta vs tors. theta energy: -108.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1270.529597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.529597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.529597 (E_RNA) where: Base-Base interactions energy: -873.447 where: short stacking energy: -370.896 Base-Backbone interact. energy: -1.437 local terms energy: -395.645899 where: bonds (distance) C4'-P energy: -90.311 bonds (distance) P-C4' energy: -61.961 flat angles C4'-P-C4' energy: -89.064 flat angles P-C4'-P energy: -46.439 tors. eta vs tors. theta energy: -107.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -1037.021661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.021661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.021661 (E_RNA) where: Base-Base interactions energy: -665.185 where: short stacking energy: -279.179 Base-Backbone interact. energy: -2.364 local terms energy: -369.472323 where: bonds (distance) C4'-P energy: -46.682 bonds (distance) P-C4' energy: -90.833 flat angles C4'-P-C4' energy: -91.681 flat angles P-C4'-P energy: -56.170 tors. eta vs tors. theta energy: -84.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -739.577609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.577609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.577609 (E_RNA) where: Base-Base interactions energy: -435.629 where: short stacking energy: -204.870 Base-Backbone interact. energy: 7.333 local terms energy: -311.281639 where: bonds (distance) C4'-P energy: -74.429 bonds (distance) P-C4' energy: -86.909 flat angles C4'-P-C4' energy: -79.027 flat angles P-C4'-P energy: -38.663 tors. eta vs tors. theta energy: -32.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1885.175032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.175032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.175032 (E_RNA) where: Base-Base interactions energy: -1329.303 where: short stacking energy: -520.668 Base-Backbone interact. energy: 2.708 local terms energy: -558.579885 where: bonds (distance) C4'-P energy: -89.191 bonds (distance) P-C4' energy: -102.587 flat angles C4'-P-C4' energy: -118.387 flat angles P-C4'-P energy: -86.416 tors. eta vs tors. theta energy: -161.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1783.084555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.084555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.084555 (E_RNA) where: Base-Base interactions energy: -1235.631 where: short stacking energy: -499.146 Base-Backbone interact. energy: 0.180 local terms energy: -547.633862 where: bonds (distance) C4'-P energy: -94.390 bonds (distance) P-C4' energy: -106.386 flat angles C4'-P-C4' energy: -111.521 flat angles P-C4'-P energy: -78.435 tors. eta vs tors. theta energy: -156.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1730.739309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.739309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.739309 (E_RNA) where: Base-Base interactions energy: -1204.753 where: short stacking energy: -477.304 Base-Backbone interact. energy: -1.259 local terms energy: -524.726756 where: bonds (distance) C4'-P energy: -95.781 bonds (distance) P-C4' energy: -93.282 flat angles C4'-P-C4' energy: -109.620 flat angles P-C4'-P energy: -74.833 tors. eta vs tors. theta energy: -151.210 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: 319 Temperature: 1.050000 Total energy: -1662.300838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.300838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.300838 (E_RNA) where: Base-Base interactions energy: -1165.660 where: short stacking energy: -468.030 Base-Backbone interact. energy: -3.320 local terms energy: -493.320292 where: bonds (distance) C4'-P energy: -73.962 bonds (distance) P-C4' energy: -90.499 flat angles C4'-P-C4' energy: -105.364 flat angles P-C4'-P energy: -70.942 tors. eta vs tors. theta energy: -152.553 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: 6 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1527.588635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.588635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.588635 (E_RNA) where: Base-Base interactions energy: -1067.742 where: short stacking energy: -427.621 Base-Backbone interact. energy: 0.189 local terms energy: -460.035738 where: bonds (distance) C4'-P energy: -90.914 bonds (distance) P-C4' energy: -83.316 flat angles C4'-P-C4' energy: -97.246 flat angles P-C4'-P energy: -66.757 tors. eta vs tors. theta energy: -121.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1486.531183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.531183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.531183 (E_RNA) where: Base-Base interactions energy: -1035.248 where: short stacking energy: -418.179 Base-Backbone interact. energy: -0.123 local terms energy: -451.160010 where: bonds (distance) C4'-P energy: -87.998 bonds (distance) P-C4' energy: -83.785 flat angles C4'-P-C4' energy: -93.417 flat angles P-C4'-P energy: -61.239 tors. eta vs tors. theta energy: -124.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1312.602903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.602903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.602903 (E_RNA) where: Base-Base interactions energy: -891.360 where: short stacking energy: -383.574 Base-Backbone interact. energy: -1.369 local terms energy: -419.873934 where: bonds (distance) C4'-P energy: -81.632 bonds (distance) P-C4' energy: -85.503 flat angles C4'-P-C4' energy: -85.052 flat angles P-C4'-P energy: -58.583 tors. eta vs tors. theta energy: -109.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1381.725551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.725551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.725551 (E_RNA) where: Base-Base interactions energy: -946.181 where: short stacking energy: -377.667 Base-Backbone interact. energy: -0.037 local terms energy: -435.506968 where: bonds (distance) C4'-P energy: -88.753 bonds (distance) P-C4' energy: -73.412 flat angles C4'-P-C4' energy: -96.906 flat angles P-C4'-P energy: -72.634 tors. eta vs tors. theta energy: -103.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -1054.511001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.511001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.511001 (E_RNA) where: Base-Base interactions energy: -692.384 where: short stacking energy: -296.942 Base-Backbone interact. energy: 2.878 local terms energy: -365.005477 where: bonds (distance) C4'-P energy: -76.812 bonds (distance) P-C4' energy: -80.687 flat angles C4'-P-C4' energy: -93.908 flat angles P-C4'-P energy: -60.193 tors. eta vs tors. theta energy: -53.406 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: 10 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -755.781738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.781738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.781738 (E_RNA) where: Base-Base interactions energy: -438.715 where: short stacking energy: -208.949 Base-Backbone interact. energy: 2.840 local terms energy: -319.906339 where: bonds (distance) C4'-P energy: -71.380 bonds (distance) P-C4' energy: -88.151 flat angles C4'-P-C4' energy: -74.968 flat angles P-C4'-P energy: -41.809 tors. eta vs tors. theta energy: -43.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1892.220598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.220598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.220598 (E_RNA) where: Base-Base interactions energy: -1356.542 where: short stacking energy: -536.091 Base-Backbone interact. energy: -2.874 local terms energy: -532.804756 where: bonds (distance) C4'-P energy: -78.732 bonds (distance) P-C4' energy: -96.200 flat angles C4'-P-C4' energy: -114.415 flat angles P-C4'-P energy: -79.262 tors. eta vs tors. theta energy: -164.196 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: 8 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1758.356622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.356622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.356622 (E_RNA) where: Base-Base interactions energy: -1247.156 where: short stacking energy: -505.300 Base-Backbone interact. energy: 0.032 local terms energy: -511.232555 where: bonds (distance) C4'-P energy: -92.110 bonds (distance) P-C4' energy: -80.868 flat angles C4'-P-C4' energy: -106.363 flat angles P-C4'-P energy: -82.691 tors. eta vs tors. theta energy: -149.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1751.160758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.160758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.160758 (E_RNA) where: Base-Base interactions energy: -1241.333 where: short stacking energy: -506.483 Base-Backbone interact. energy: -1.336 local terms energy: -508.492110 where: bonds (distance) C4'-P energy: -78.193 bonds (distance) P-C4' energy: -93.473 flat angles C4'-P-C4' energy: -99.337 flat angles P-C4'-P energy: -74.201 tors. eta vs tors. theta energy: -163.289 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: 7 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1651.884891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.884891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.884891 (E_RNA) where: Base-Base interactions energy: -1145.228 where: short stacking energy: -463.781 Base-Backbone interact. energy: 1.359 local terms energy: -508.015463 where: bonds (distance) C4'-P energy: -94.276 bonds (distance) P-C4' energy: -94.831 flat angles C4'-P-C4' energy: -105.352 flat angles P-C4'-P energy: -67.520 tors. eta vs tors. theta energy: -146.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1556.154277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.154277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.154277 (E_RNA) where: Base-Base interactions energy: -1092.690 where: short stacking energy: -440.667 Base-Backbone interact. energy: -0.047 local terms energy: -463.417747 where: bonds (distance) C4'-P energy: -86.229 bonds (distance) P-C4' energy: -89.411 flat angles C4'-P-C4' energy: -89.949 flat angles P-C4'-P energy: -63.960 tors. eta vs tors. theta energy: -133.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1472.268374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.268374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.268374 (E_RNA) where: Base-Base interactions energy: -1019.245 where: short stacking energy: -416.886 Base-Backbone interact. energy: -1.287 local terms energy: -451.735750 where: bonds (distance) C4'-P energy: -64.070 bonds (distance) P-C4' energy: -79.175 flat angles C4'-P-C4' energy: -108.568 flat angles P-C4'-P energy: -63.432 tors. eta vs tors. theta energy: -136.491 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: 7, replica: 1 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1370.273385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.273385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.273385 (E_RNA) where: Base-Base interactions energy: -950.924 where: short stacking energy: -384.109 Base-Backbone interact. energy: -2.555 local terms energy: -416.794248 where: bonds (distance) C4'-P energy: -86.865 bonds (distance) P-C4' energy: -74.874 flat angles C4'-P-C4' energy: -88.743 flat angles P-C4'-P energy: -61.489 tors. eta vs tors. theta energy: -104.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1278.668179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.668179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.668179 (E_RNA) where: Base-Base interactions energy: -865.651 where: short stacking energy: -366.862 Base-Backbone interact. energy: 2.198 local terms energy: -415.214643 where: bonds (distance) C4'-P energy: -79.439 bonds (distance) P-C4' energy: -81.559 flat angles C4'-P-C4' energy: -96.844 flat angles P-C4'-P energy: -64.318 tors. eta vs tors. theta energy: -93.056 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: 9 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -1123.824943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.824943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.824943 (E_RNA) where: Base-Base interactions energy: -751.141 where: short stacking energy: -313.634 Base-Backbone interact. energy: -1.037 local terms energy: -371.647050 where: bonds (distance) C4'-P energy: -93.672 bonds (distance) P-C4' energy: -78.065 flat angles C4'-P-C4' energy: -73.463 flat angles P-C4'-P energy: -52.636 tors. eta vs tors. theta energy: -73.812 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: 10 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -767.590190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.590190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.590190 (E_RNA) where: Base-Base interactions energy: -476.642 where: short stacking energy: -221.543 Base-Backbone interact. energy: 2.311 local terms energy: -293.258944 where: bonds (distance) C4'-P energy: -73.432 bonds (distance) P-C4' energy: -67.844 flat angles C4'-P-C4' energy: -75.162 flat angles P-C4'-P energy: -55.852 tors. eta vs tors. theta energy: -20.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1901.843606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.843606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.843606 (E_RNA) where: Base-Base interactions energy: -1358.335 where: short stacking energy: -533.023 Base-Backbone interact. energy: -2.384 local terms energy: -541.124434 where: bonds (distance) C4'-P energy: -93.592 bonds (distance) P-C4' energy: -92.147 flat angles C4'-P-C4' energy: -120.222 flat angles P-C4'-P energy: -74.332 tors. eta vs tors. theta energy: -160.830 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: 8 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1772.497460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.497460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.497460 (E_RNA) where: Base-Base interactions energy: -1241.578 where: short stacking energy: -517.747 Base-Backbone interact. energy: 0.026 local terms energy: -530.945704 where: bonds (distance) C4'-P energy: -100.336 bonds (distance) P-C4' energy: -80.567 flat angles C4'-P-C4' energy: -116.863 flat angles P-C4'-P energy: -67.487 tors. eta vs tors. theta energy: -165.693 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: 321 Temperature: 1.000000 Total energy: -1746.841651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.841651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.841651 (E_RNA) where: Base-Base interactions energy: -1223.866 where: short stacking energy: -494.223 Base-Backbone interact. energy: 0.080 local terms energy: -523.055242 where: bonds (distance) C4'-P energy: -91.943 bonds (distance) P-C4' energy: -83.033 flat angles C4'-P-C4' energy: -120.330 flat angles P-C4'-P energy: -77.037 tors. eta vs tors. theta energy: -150.712 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: 4, replica: 7 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1640.825777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.825777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.825777 (E_RNA) where: Base-Base interactions energy: -1119.395 where: short stacking energy: -476.140 Base-Backbone interact. energy: -1.041 local terms energy: -520.389229 where: bonds (distance) C4'-P energy: -93.517 bonds (distance) P-C4' energy: -97.722 flat angles C4'-P-C4' energy: -104.357 flat angles P-C4'-P energy: -78.931 tors. eta vs tors. theta energy: -145.861 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: 5, replica: 6 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1541.959906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.959906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.959906 (E_RNA) where: Base-Base interactions energy: -1060.278 where: short stacking energy: -430.471 Base-Backbone interact. energy: 1.011 local terms energy: -482.692660 where: bonds (distance) C4'-P energy: -93.458 bonds (distance) P-C4' energy: -93.964 flat angles C4'-P-C4' energy: -94.261 flat angles P-C4'-P energy: -75.479 tors. eta vs tors. theta energy: -125.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1498.871802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.871802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.871802 (E_RNA) where: Base-Base interactions energy: -1026.864 where: short stacking energy: -439.860 Base-Backbone interact. energy: -3.849 local terms energy: -468.158860 where: bonds (distance) C4'-P energy: -85.957 bonds (distance) P-C4' energy: -86.545 flat angles C4'-P-C4' energy: -95.254 flat angles P-C4'-P energy: -71.260 tors. eta vs tors. theta energy: -129.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1333.323688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.323688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.323688 (E_RNA) where: Base-Base interactions energy: -914.795 where: short stacking energy: -377.686 Base-Backbone interact. energy: 0.871 local terms energy: -419.399678 where: bonds (distance) C4'-P energy: -87.261 bonds (distance) P-C4' energy: -74.801 flat angles C4'-P-C4' energy: -100.699 flat angles P-C4'-P energy: -58.801 tors. eta vs tors. theta energy: -97.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1247.945461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.945461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.945461 (E_RNA) where: Base-Base interactions energy: -836.496 where: short stacking energy: -337.086 Base-Backbone interact. energy: 0.161 local terms energy: -411.610348 where: bonds (distance) C4'-P energy: -77.385 bonds (distance) P-C4' energy: -95.866 flat angles C4'-P-C4' energy: -91.302 flat angles P-C4'-P energy: -54.064 tors. eta vs tors. theta energy: -92.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -1069.506610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.506610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.506610 (E_RNA) where: Base-Base interactions energy: -696.837 where: short stacking energy: -303.318 Base-Backbone interact. energy: -2.232 local terms energy: -370.437277 where: bonds (distance) C4'-P energy: -73.097 bonds (distance) P-C4' energy: -89.289 flat angles C4'-P-C4' energy: -83.625 flat angles P-C4'-P energy: -55.144 tors. eta vs tors. theta energy: -69.283 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: 10 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -793.406649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.406649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.406649 (E_RNA) where: Base-Base interactions energy: -487.623 where: short stacking energy: -228.280 Base-Backbone interact. energy: 0.827 local terms energy: -306.610386 where: bonds (distance) C4'-P energy: -72.072 bonds (distance) P-C4' energy: -81.665 flat angles C4'-P-C4' energy: -72.025 flat angles P-C4'-P energy: -53.840 tors. eta vs tors. theta energy: -27.008 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: 1, replica: 2 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1904.620093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.620093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.620093 (E_RNA) where: Base-Base interactions energy: -1346.614 where: short stacking energy: -542.091 Base-Backbone interact. energy: -0.685 local terms energy: -557.320642 where: bonds (distance) C4'-P energy: -101.644 bonds (distance) P-C4' energy: -98.791 flat angles C4'-P-C4' energy: -112.315 flat angles P-C4'-P energy: -82.692 tors. eta vs tors. theta energy: -161.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1768.224775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.224775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.224775 (E_RNA) where: Base-Base interactions energy: -1240.535 where: short stacking energy: -503.120 Base-Backbone interact. energy: 0.177 local terms energy: -527.866298 where: bonds (distance) C4'-P energy: -94.692 bonds (distance) P-C4' energy: -92.217 flat angles C4'-P-C4' energy: -110.153 flat angles P-C4'-P energy: -76.496 tors. eta vs tors. theta energy: -154.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1758.199270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.199270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.199270 (E_RNA) where: Base-Base interactions energy: -1228.759 where: short stacking energy: -488.472 Base-Backbone interact. energy: -2.556 local terms energy: -526.884260 where: bonds (distance) C4'-P energy: -96.799 bonds (distance) P-C4' energy: -100.094 flat angles C4'-P-C4' energy: -108.892 flat angles P-C4'-P energy: -73.988 tors. eta vs tors. theta energy: -147.111 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: 322 Temperature: 1.050000 Total energy: -1625.357140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.357140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.357140 (E_RNA) where: Base-Base interactions energy: -1123.646 where: short stacking energy: -447.632 Base-Backbone interact. energy: -1.552 local terms energy: -500.159116 where: bonds (distance) C4'-P energy: -88.312 bonds (distance) P-C4' energy: -89.010 flat angles C4'-P-C4' energy: -109.061 flat angles P-C4'-P energy: -67.640 tors. eta vs tors. theta energy: -146.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1539.834236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.834236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.834236 (E_RNA) where: Base-Base interactions energy: -1063.878 where: short stacking energy: -423.489 Base-Backbone interact. energy: -1.202 local terms energy: -474.754685 where: bonds (distance) C4'-P energy: -92.333 bonds (distance) P-C4' energy: -81.895 flat angles C4'-P-C4' energy: -100.487 flat angles P-C4'-P energy: -71.777 tors. eta vs tors. theta energy: -128.263 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: 6, replica: 4 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1472.136087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.136087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.136087 (E_RNA) where: Base-Base interactions energy: -1028.252 where: short stacking energy: -414.354 Base-Backbone interact. energy: 0.289 local terms energy: -444.173663 where: bonds (distance) C4'-P energy: -80.725 bonds (distance) P-C4' energy: -79.234 flat angles C4'-P-C4' energy: -103.132 flat angles P-C4'-P energy: -64.290 tors. eta vs tors. theta energy: -116.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1324.804255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.804255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.804255 (E_RNA) where: Base-Base interactions energy: -886.328 where: short stacking energy: -374.938 Base-Backbone interact. energy: -1.496 local terms energy: -436.980176 where: bonds (distance) C4'-P energy: -76.091 bonds (distance) P-C4' energy: -83.947 flat angles C4'-P-C4' energy: -102.938 flat angles P-C4'-P energy: -63.869 tors. eta vs tors. theta energy: -110.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1252.416339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.416339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.416339 (E_RNA) where: Base-Base interactions energy: -854.169 where: short stacking energy: -365.337 Base-Backbone interact. energy: 0.234 local terms energy: -398.481802 where: bonds (distance) C4'-P energy: -82.380 bonds (distance) P-C4' energy: -65.572 flat angles C4'-P-C4' energy: -91.824 flat angles P-C4'-P energy: -57.231 tors. eta vs tors. theta energy: -101.475 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: 322 Temperature: 1.300000 Total energy: -1101.658984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.658984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.658984 (E_RNA) where: Base-Base interactions energy: -705.714 where: short stacking energy: -315.395 Base-Backbone interact. energy: -1.628 local terms energy: -394.317004 where: bonds (distance) C4'-P energy: -80.592 bonds (distance) P-C4' energy: -87.785 flat angles C4'-P-C4' energy: -87.421 flat angles P-C4'-P energy: -58.513 tors. eta vs tors. theta energy: -80.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -794.338074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.338074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.338074 (E_RNA) where: Base-Base interactions energy: -480.171 where: short stacking energy: -218.587 Base-Backbone interact. energy: -0.533 local terms energy: -313.634318 where: bonds (distance) C4'-P energy: -70.685 bonds (distance) P-C4' energy: -82.126 flat angles C4'-P-C4' energy: -76.958 flat angles P-C4'-P energy: -39.250 tors. eta vs tors. theta energy: -44.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1900.450874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.450874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.450874 (E_RNA) where: Base-Base interactions energy: -1338.330 where: short stacking energy: -536.441 Base-Backbone interact. energy: -1.847 local terms energy: -560.274218 where: bonds (distance) C4'-P energy: -87.289 bonds (distance) P-C4' energy: -103.188 flat angles C4'-P-C4' energy: -117.162 flat angles P-C4'-P energy: -87.972 tors. eta vs tors. theta energy: -164.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1781.239117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.239117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.239117 (E_RNA) where: Base-Base interactions energy: -1265.854 where: short stacking energy: -512.564 Base-Backbone interact. energy: -0.317 local terms energy: -515.067953 where: bonds (distance) C4'-P energy: -91.993 bonds (distance) P-C4' energy: -86.341 flat angles C4'-P-C4' energy: -110.714 flat angles P-C4'-P energy: -74.735 tors. eta vs tors. theta energy: -151.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1746.521821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.521821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.521821 (E_RNA) where: Base-Base interactions energy: -1222.143 where: short stacking energy: -488.721 Base-Backbone interact. energy: -2.115 local terms energy: -522.264209 where: bonds (distance) C4'-P energy: -90.459 bonds (distance) P-C4' energy: -102.328 flat angles C4'-P-C4' energy: -103.049 flat angles P-C4'-P energy: -68.960 tors. eta vs tors. theta energy: -157.469 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: 323 Temperature: 1.050000 Total energy: -1626.258754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.258754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.258754 (E_RNA) where: Base-Base interactions energy: -1117.135 where: short stacking energy: -447.929 Base-Backbone interact. energy: -0.402 local terms energy: -508.721934 where: bonds (distance) C4'-P energy: -86.699 bonds (distance) P-C4' energy: -93.989 flat angles C4'-P-C4' energy: -116.277 flat angles P-C4'-P energy: -73.897 tors. eta vs tors. theta energy: -137.859 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: 6 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1540.599920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.599920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.599920 (E_RNA) where: Base-Base interactions energy: -1104.814 where: short stacking energy: -436.506 Base-Backbone interact. energy: -1.346 local terms energy: -434.440192 where: bonds (distance) C4'-P energy: -77.514 bonds (distance) P-C4' energy: -76.844 flat angles C4'-P-C4' energy: -82.095 flat angles P-C4'-P energy: -68.106 tors. eta vs tors. theta energy: -129.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1488.935512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.935512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.935512 (E_RNA) where: Base-Base interactions energy: -1018.047 where: short stacking energy: -414.070 Base-Backbone interact. energy: -1.750 local terms energy: -469.138528 where: bonds (distance) C4'-P energy: -83.182 bonds (distance) P-C4' energy: -89.052 flat angles C4'-P-C4' energy: -102.291 flat angles P-C4'-P energy: -68.697 tors. eta vs tors. theta energy: -125.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1337.375077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.375077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.375077 (E_RNA) where: Base-Base interactions energy: -892.574 where: short stacking energy: -371.738 Base-Backbone interact. energy: 0.316 local terms energy: -445.116904 where: bonds (distance) C4'-P energy: -91.592 bonds (distance) P-C4' energy: -86.234 flat angles C4'-P-C4' energy: -84.722 flat angles P-C4'-P energy: -65.456 tors. eta vs tors. theta energy: -117.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1264.515404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.515404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.515404 (E_RNA) where: Base-Base interactions energy: -858.493 where: short stacking energy: -336.699 Base-Backbone interact. energy: -1.688 local terms energy: -404.334071 where: bonds (distance) C4'-P energy: -83.146 bonds (distance) P-C4' energy: -75.861 flat angles C4'-P-C4' energy: -97.448 flat angles P-C4'-P energy: -64.764 tors. eta vs tors. theta energy: -83.114 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: 9 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -1062.960620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.960620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.960620 (E_RNA) where: Base-Base interactions energy: -680.075 where: short stacking energy: -292.657 Base-Backbone interact. energy: -0.383 local terms energy: -382.501786 where: bonds (distance) C4'-P energy: -80.362 bonds (distance) P-C4' energy: -77.151 flat angles C4'-P-C4' energy: -93.192 flat angles P-C4'-P energy: -63.872 tors. eta vs tors. theta energy: -67.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -777.718598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.718598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.718598 (E_RNA) where: Base-Base interactions energy: -472.540 where: short stacking energy: -217.478 Base-Backbone interact. energy: 2.698 local terms energy: -307.876278 where: bonds (distance) C4'-P energy: -83.664 bonds (distance) P-C4' energy: -86.875 flat angles C4'-P-C4' energy: -80.844 flat angles P-C4'-P energy: -30.402 tors. eta vs tors. theta energy: -26.091 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: 2 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1885.779502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.779502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.779502 (E_RNA) where: Base-Base interactions energy: -1341.895 where: short stacking energy: -527.666 Base-Backbone interact. energy: -0.528 local terms energy: -543.357415 where: bonds (distance) C4'-P energy: -100.548 bonds (distance) P-C4' energy: -92.831 flat angles C4'-P-C4' energy: -106.480 flat angles P-C4'-P energy: -80.348 tors. eta vs tors. theta energy: -163.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1793.360013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.360013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.360013 (E_RNA) where: Base-Base interactions energy: -1249.210 where: short stacking energy: -517.215 Base-Backbone interact. energy: 0.679 local terms energy: -544.828523 where: bonds (distance) C4'-P energy: -87.602 bonds (distance) P-C4' energy: -99.932 flat angles C4'-P-C4' energy: -105.718 flat angles P-C4'-P energy: -83.221 tors. eta vs tors. theta energy: -168.355 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: 3 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1740.273198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.273198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.273198 (E_RNA) where: Base-Base interactions energy: -1231.695 where: short stacking energy: -483.128 Base-Backbone interact. energy: -2.013 local terms energy: -506.565562 where: bonds (distance) C4'-P energy: -81.097 bonds (distance) P-C4' energy: -85.372 flat angles C4'-P-C4' energy: -111.645 flat angles P-C4'-P energy: -76.124 tors. eta vs tors. theta energy: -152.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1612.580398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.580398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.580398 (E_RNA) where: Base-Base interactions energy: -1109.971 where: short stacking energy: -463.082 Base-Backbone interact. energy: -0.812 local terms energy: -501.797391 where: bonds (distance) C4'-P energy: -92.782 bonds (distance) P-C4' energy: -89.135 flat angles C4'-P-C4' energy: -98.539 flat angles P-C4'-P energy: -70.790 tors. eta vs tors. theta energy: -150.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -1562.881824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.881824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.881824 (E_RNA) where: Base-Base interactions energy: -1090.539 where: short stacking energy: -424.633 Base-Backbone interact. energy: -2.985 local terms energy: -469.358028 where: bonds (distance) C4'-P energy: -83.385 bonds (distance) P-C4' energy: -82.074 flat angles C4'-P-C4' energy: -110.602 flat angles P-C4'-P energy: -68.528 tors. eta vs tors. theta energy: -124.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1483.041390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.041390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.041390 (E_RNA) where: Base-Base interactions energy: -1012.961 where: short stacking energy: -401.036 Base-Backbone interact. energy: -0.029 local terms energy: -470.051363 where: bonds (distance) C4'-P energy: -93.975 bonds (distance) P-C4' energy: -93.851 flat angles C4'-P-C4' energy: -94.068 flat angles P-C4'-P energy: -67.541 tors. eta vs tors. theta energy: -120.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1353.727229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.727229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.727229 (E_RNA) where: Base-Base interactions energy: -933.409 where: short stacking energy: -390.884 Base-Backbone interact. energy: 3.071 local terms energy: -423.389187 where: bonds (distance) C4'-P energy: -77.091 bonds (distance) P-C4' energy: -73.291 flat angles C4'-P-C4' energy: -99.336 flat angles P-C4'-P energy: -60.761 tors. eta vs tors. theta energy: -112.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1214.290449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.290449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.290449 (E_RNA) where: Base-Base interactions energy: -843.185 where: short stacking energy: -355.761 Base-Backbone interact. energy: 1.801 local terms energy: -372.905726 where: bonds (distance) C4'-P energy: -61.884 bonds (distance) P-C4' energy: -79.241 flat angles C4'-P-C4' energy: -82.494 flat angles P-C4'-P energy: -52.888 tors. eta vs tors. theta energy: -96.399 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: 9 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -1051.716141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.716141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.716141 (E_RNA) where: Base-Base interactions energy: -693.128 where: short stacking energy: -302.432 Base-Backbone interact. energy: -0.261 local terms energy: -358.327500 where: bonds (distance) C4'-P energy: -65.335 bonds (distance) P-C4' energy: -83.319 flat angles C4'-P-C4' energy: -76.208 flat angles P-C4'-P energy: -62.772 tors. eta vs tors. theta energy: -70.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -797.885849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.885849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.885849 (E_RNA) where: Base-Base interactions energy: -496.303 where: short stacking energy: -217.769 Base-Backbone interact. energy: 3.384 local terms energy: -304.966633 where: bonds (distance) C4'-P energy: -71.889 bonds (distance) P-C4' energy: -82.401 flat angles C4'-P-C4' energy: -77.339 flat angles P-C4'-P energy: -45.360 tors. eta vs tors. theta energy: -27.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1900.174622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.174622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.174622 (E_RNA) where: Base-Base interactions energy: -1341.503 where: short stacking energy: -532.708 Base-Backbone interact. energy: -2.985 local terms energy: -555.686689 where: bonds (distance) C4'-P energy: -97.099 bonds (distance) P-C4' energy: -99.278 flat angles C4'-P-C4' energy: -119.417 flat angles P-C4'-P energy: -78.364 tors. eta vs tors. theta energy: -161.529 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: 8 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1792.122707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.122707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.122707 (E_RNA) where: Base-Base interactions energy: -1252.195 where: short stacking energy: -530.035 Base-Backbone interact. energy: -0.691 local terms energy: -539.236350 where: bonds (distance) C4'-P energy: -89.795 bonds (distance) P-C4' energy: -99.442 flat angles C4'-P-C4' energy: -108.490 flat angles P-C4'-P energy: -76.179 tors. eta vs tors. theta energy: -165.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1762.650650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.650650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.650650 (E_RNA) where: Base-Base interactions energy: -1238.314 where: short stacking energy: -507.430 Base-Backbone interact. energy: -1.580 local terms energy: -522.756093 where: bonds (distance) C4'-P energy: -86.551 bonds (distance) P-C4' energy: -91.872 flat angles C4'-P-C4' energy: -104.953 flat angles P-C4'-P energy: -82.127 tors. eta vs tors. theta energy: -157.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1636.318539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.318539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.318539 (E_RNA) where: Base-Base interactions energy: -1103.576 where: short stacking energy: -474.465 Base-Backbone interact. energy: -0.778 local terms energy: -531.964941 where: bonds (distance) C4'-P energy: -99.521 bonds (distance) P-C4' energy: -89.075 flat angles C4'-P-C4' energy: -110.060 flat angles P-C4'-P energy: -78.978 tors. eta vs tors. theta energy: -154.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -1570.759605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.759605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.759605 (E_RNA) where: Base-Base interactions energy: -1090.662 where: short stacking energy: -433.014 Base-Backbone interact. energy: -0.527 local terms energy: -479.571053 where: bonds (distance) C4'-P energy: -69.092 bonds (distance) P-C4' energy: -103.489 flat angles C4'-P-C4' energy: -108.201 flat angles P-C4'-P energy: -75.996 tors. eta vs tors. theta energy: -122.793 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: 325 Temperature: 1.150000 Total energy: -1466.107954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.107954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.107954 (E_RNA) where: Base-Base interactions energy: -1028.549 where: short stacking energy: -414.116 Base-Backbone interact. energy: 5.830 local terms energy: -443.388944 where: bonds (distance) C4'-P energy: -82.149 bonds (distance) P-C4' energy: -65.093 flat angles C4'-P-C4' energy: -96.116 flat angles P-C4'-P energy: -72.528 tors. eta vs tors. theta energy: -127.504 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: 325 Temperature: 1.200000 Total energy: -1320.030721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.030721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.030721 (E_RNA) where: Base-Base interactions energy: -895.273 where: short stacking energy: -360.229 Base-Backbone interact. energy: 4.930 local terms energy: -429.687528 where: bonds (distance) C4'-P energy: -82.962 bonds (distance) P-C4' energy: -84.291 flat angles C4'-P-C4' energy: -91.906 flat angles P-C4'-P energy: -67.973 tors. eta vs tors. theta energy: -102.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1198.037967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.037967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.037967 (E_RNA) where: Base-Base interactions energy: -803.304 where: short stacking energy: -336.281 Base-Backbone interact. energy: -0.934 local terms energy: -393.800183 where: bonds (distance) C4'-P energy: -91.185 bonds (distance) P-C4' energy: -89.091 flat angles C4'-P-C4' energy: -79.935 flat angles P-C4'-P energy: -54.744 tors. eta vs tors. theta energy: -78.846 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: 9, replica: 9 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -1064.758643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.758643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.758643 (E_RNA) where: Base-Base interactions energy: -690.813 where: short stacking energy: -320.950 Base-Backbone interact. energy: -1.854 local terms energy: -372.092416 where: bonds (distance) C4'-P energy: -88.120 bonds (distance) P-C4' energy: -71.790 flat angles C4'-P-C4' energy: -84.730 flat angles P-C4'-P energy: -50.905 tors. eta vs tors. theta energy: -76.548 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: 10, replica: 10 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -833.790358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.790358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.790358 (E_RNA) where: Base-Base interactions energy: -514.316 where: short stacking energy: -239.270 Base-Backbone interact. energy: 3.016 local terms energy: -322.489696 where: bonds (distance) C4'-P energy: -88.507 bonds (distance) P-C4' energy: -80.577 flat angles C4'-P-C4' energy: -70.993 flat angles P-C4'-P energy: -45.879 tors. eta vs tors. theta energy: -36.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1888.179885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.179885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.179885 (E_RNA) where: Base-Base interactions energy: -1343.058 where: short stacking energy: -535.250 Base-Backbone interact. energy: -0.405 local terms energy: -544.716205 where: bonds (distance) C4'-P energy: -91.423 bonds (distance) P-C4' energy: -100.554 flat angles C4'-P-C4' energy: -112.961 flat angles P-C4'-P energy: -78.717 tors. eta vs tors. theta energy: -161.061 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: 2, replica: 8 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1774.842744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.842744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.842744 (E_RNA) where: Base-Base interactions energy: -1260.991 where: short stacking energy: -533.440 Base-Backbone interact. energy: -0.886 local terms energy: -512.965552 where: bonds (distance) C4'-P energy: -82.067 bonds (distance) P-C4' energy: -94.105 flat angles C4'-P-C4' energy: -95.915 flat angles P-C4'-P energy: -77.196 tors. eta vs tors. theta energy: -163.683 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: 3, replica: 3 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1744.356031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.356031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.356031 (E_RNA) where: Base-Base interactions energy: -1219.568 where: short stacking energy: -486.893 Base-Backbone interact. energy: 0.205 local terms energy: -524.993209 where: bonds (distance) C4'-P energy: -93.463 bonds (distance) P-C4' energy: -97.045 flat angles C4'-P-C4' energy: -98.930 flat angles P-C4'-P energy: -81.077 tors. eta vs tors. theta energy: -154.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1624.344103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.344103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.344103 (E_RNA) where: Base-Base interactions energy: -1111.098 where: short stacking energy: -463.412 Base-Backbone interact. energy: -0.615 local terms energy: -512.630534 where: bonds (distance) C4'-P energy: -79.354 bonds (distance) P-C4' energy: -98.018 flat angles C4'-P-C4' energy: -112.235 flat angles P-C4'-P energy: -73.077 tors. eta vs tors. theta energy: -149.947 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: 6 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -1556.640214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.640214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.640214 (E_RNA) where: Base-Base interactions energy: -1079.425 where: short stacking energy: -440.649 Base-Backbone interact. energy: -2.160 local terms energy: -475.054834 where: bonds (distance) C4'-P energy: -80.666 bonds (distance) P-C4' energy: -88.859 flat angles C4'-P-C4' energy: -106.259 flat angles P-C4'-P energy: -68.134 tors. eta vs tors. theta energy: -131.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1451.472490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.472490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.472490 (E_RNA) where: Base-Base interactions energy: -1007.274 where: short stacking energy: -410.873 Base-Backbone interact. energy: 3.506 local terms energy: -447.705214 where: bonds (distance) C4'-P energy: -76.683 bonds (distance) P-C4' energy: -86.553 flat angles C4'-P-C4' energy: -95.193 flat angles P-C4'-P energy: -70.309 tors. eta vs tors. theta energy: -118.967 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: 1 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1321.418898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.418898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.418898 (E_RNA) where: Base-Base interactions energy: -887.230 where: short stacking energy: -365.707 Base-Backbone interact. energy: 0.619 local terms energy: -434.807714 where: bonds (distance) C4'-P energy: -79.037 bonds (distance) P-C4' energy: -85.877 flat angles C4'-P-C4' energy: -92.149 flat angles P-C4'-P energy: -58.205 tors. eta vs tors. theta energy: -119.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1244.548570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.548570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.548570 (E_RNA) where: Base-Base interactions energy: -850.440 where: short stacking energy: -363.716 Base-Backbone interact. energy: 3.761 local terms energy: -397.869818 where: bonds (distance) C4'-P energy: -89.676 bonds (distance) P-C4' energy: -61.972 flat angles C4'-P-C4' energy: -98.308 flat angles P-C4'-P energy: -53.716 tors. eta vs tors. theta energy: -94.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -1099.392748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.392748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.392748 (E_RNA) where: Base-Base interactions energy: -741.538 where: short stacking energy: -304.176 Base-Backbone interact. energy: 3.944 local terms energy: -361.798219 where: bonds (distance) C4'-P energy: -87.539 bonds (distance) P-C4' energy: -78.032 flat angles C4'-P-C4' energy: -72.858 flat angles P-C4'-P energy: -53.322 tors. eta vs tors. theta energy: -70.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -832.714241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.714241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.714241 (E_RNA) where: Base-Base interactions energy: -510.429 where: short stacking energy: -226.297 Base-Backbone interact. energy: 0.965 local terms energy: -323.251009 where: bonds (distance) C4'-P energy: -77.618 bonds (distance) P-C4' energy: -81.537 flat angles C4'-P-C4' energy: -81.066 flat angles P-C4'-P energy: -42.245 tors. eta vs tors. theta energy: -40.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1894.937747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.937747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.937747 (E_RNA) where: Base-Base interactions energy: -1343.592 where: short stacking energy: -534.880 Base-Backbone interact. energy: -2.089 local terms energy: -549.257042 where: bonds (distance) C4'-P energy: -90.504 bonds (distance) P-C4' energy: -101.410 flat angles C4'-P-C4' energy: -111.534 flat angles P-C4'-P energy: -79.526 tors. eta vs tors. theta energy: -166.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1770.140138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.140138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.140138 (E_RNA) where: Base-Base interactions energy: -1236.876 where: short stacking energy: -522.169 Base-Backbone interact. energy: -1.737 local terms energy: -531.527871 where: bonds (distance) C4'-P energy: -88.104 bonds (distance) P-C4' energy: -93.883 flat angles C4'-P-C4' energy: -107.812 flat angles P-C4'-P energy: -75.012 tors. eta vs tors. theta energy: -166.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1763.319603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.319603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.319603 (E_RNA) where: Base-Base interactions energy: -1260.964 where: short stacking energy: -503.314 Base-Backbone interact. energy: 0.167 local terms energy: -502.521956 where: bonds (distance) C4'-P energy: -83.523 bonds (distance) P-C4' energy: -88.603 flat angles C4'-P-C4' energy: -109.334 flat angles P-C4'-P energy: -63.928 tors. eta vs tors. theta energy: -157.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1632.335538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.335538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.335538 (E_RNA) where: Base-Base interactions energy: -1140.599 where: short stacking energy: -472.959 Base-Backbone interact. energy: -0.808 local terms energy: -490.928212 where: bonds (distance) C4'-P energy: -83.358 bonds (distance) P-C4' energy: -71.000 flat angles C4'-P-C4' energy: -112.215 flat angles P-C4'-P energy: -76.728 tors. eta vs tors. theta energy: -147.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1568.942936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.942936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.942936 (E_RNA) where: Base-Base interactions energy: -1117.048 where: short stacking energy: -443.332 Base-Backbone interact. energy: -3.732 local terms energy: -448.162700 where: bonds (distance) C4'-P energy: -71.380 bonds (distance) P-C4' energy: -98.527 flat angles C4'-P-C4' energy: -93.581 flat angles P-C4'-P energy: -61.469 tors. eta vs tors. theta energy: -123.206 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: 4 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1450.645226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.645226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.645226 (E_RNA) where: Base-Base interactions energy: -996.498 where: short stacking energy: -398.483 Base-Backbone interact. energy: -1.605 local terms energy: -452.542322 where: bonds (distance) C4'-P energy: -78.900 bonds (distance) P-C4' energy: -95.177 flat angles C4'-P-C4' energy: -92.653 flat angles P-C4'-P energy: -62.745 tors. eta vs tors. theta energy: -123.066 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: 1 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1320.208709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.208709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.208709 (E_RNA) where: Base-Base interactions energy: -902.725 where: short stacking energy: -362.714 Base-Backbone interact. energy: 0.187 local terms energy: -417.669860 where: bonds (distance) C4'-P energy: -77.259 bonds (distance) P-C4' energy: -80.835 flat angles C4'-P-C4' energy: -96.397 flat angles P-C4'-P energy: -54.929 tors. eta vs tors. theta energy: -108.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1255.716357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.716357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.716357 (E_RNA) where: Base-Base interactions energy: -835.417 where: short stacking energy: -378.125 Base-Backbone interact. energy: -1.450 local terms energy: -418.849218 where: bonds (distance) C4'-P energy: -74.745 bonds (distance) P-C4' energy: -70.429 flat angles C4'-P-C4' energy: -109.573 flat angles P-C4'-P energy: -63.863 tors. eta vs tors. theta energy: -100.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -1076.358231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.358231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.358231 (E_RNA) where: Base-Base interactions energy: -691.885 where: short stacking energy: -306.038 Base-Backbone interact. energy: 0.518 local terms energy: -384.991270 where: bonds (distance) C4'-P energy: -74.137 bonds (distance) P-C4' energy: -95.254 flat angles C4'-P-C4' energy: -88.175 flat angles P-C4'-P energy: -54.845 tors. eta vs tors. theta energy: -72.580 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: 10 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -789.369891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.369891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.369891 (E_RNA) where: Base-Base interactions energy: -470.417 where: short stacking energy: -213.762 Base-Backbone interact. energy: -0.239 local terms energy: -318.713838 where: bonds (distance) C4'-P energy: -76.304 bonds (distance) P-C4' energy: -82.360 flat angles C4'-P-C4' energy: -80.431 flat angles P-C4'-P energy: -55.422 tors. eta vs tors. theta energy: -24.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1903.695071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.695071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.695071 (E_RNA) where: Base-Base interactions energy: -1347.422 where: short stacking energy: -541.419 Base-Backbone interact. energy: -4.166 local terms energy: -552.107868 where: bonds (distance) C4'-P energy: -96.965 bonds (distance) P-C4' energy: -101.449 flat angles C4'-P-C4' energy: -113.737 flat angles P-C4'-P energy: -71.686 tors. eta vs tors. theta energy: -168.271 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: 2, replica: 8 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1767.534042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.534042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.534042 (E_RNA) where: Base-Base interactions energy: -1247.702 where: short stacking energy: -500.993 Base-Backbone interact. energy: -1.453 local terms energy: -518.379038 where: bonds (distance) C4'-P energy: -82.768 bonds (distance) P-C4' energy: -89.387 flat angles C4'-P-C4' energy: -110.377 flat angles P-C4'-P energy: -76.817 tors. eta vs tors. theta energy: -159.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1755.530003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.530003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.530003 (E_RNA) where: Base-Base interactions energy: -1225.049 where: short stacking energy: -484.847 Base-Backbone interact. energy: 0.681 local terms energy: -531.161459 where: bonds (distance) C4'-P energy: -88.510 bonds (distance) P-C4' energy: -91.749 flat angles C4'-P-C4' energy: -113.201 flat angles P-C4'-P energy: -81.552 tors. eta vs tors. theta energy: -156.149 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: 7 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1615.922202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.922202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.922202 (E_RNA) where: Base-Base interactions energy: -1126.088 where: short stacking energy: -454.036 Base-Backbone interact. energy: -1.353 local terms energy: -488.481248 where: bonds (distance) C4'-P energy: -83.283 bonds (distance) P-C4' energy: -76.251 flat angles C4'-P-C4' energy: -106.147 flat angles P-C4'-P energy: -69.663 tors. eta vs tors. theta energy: -153.137 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: 6 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -1603.080725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.080725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.080725 (E_RNA) where: Base-Base interactions energy: -1129.313 where: short stacking energy: -448.904 Base-Backbone interact. energy: -1.558 local terms energy: -472.209492 where: bonds (distance) C4'-P energy: -84.205 bonds (distance) P-C4' energy: -78.576 flat angles C4'-P-C4' energy: -109.075 flat angles P-C4'-P energy: -71.255 tors. eta vs tors. theta energy: -129.098 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: 4 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1473.212963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.212963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.212963 (E_RNA) where: Base-Base interactions energy: -1009.147 where: short stacking energy: -406.633 Base-Backbone interact. energy: 2.044 local terms energy: -466.109976 where: bonds (distance) C4'-P energy: -89.070 bonds (distance) P-C4' energy: -83.905 flat angles C4'-P-C4' energy: -101.473 flat angles P-C4'-P energy: -66.787 tors. eta vs tors. theta energy: -124.874 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: 5 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1337.677345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.677345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.677345 (E_RNA) where: Base-Base interactions energy: -945.959 where: short stacking energy: -383.295 Base-Backbone interact. energy: -0.474 local terms energy: -391.244222 where: bonds (distance) C4'-P energy: -67.552 bonds (distance) P-C4' energy: -82.450 flat angles C4'-P-C4' energy: -79.260 flat angles P-C4'-P energy: -47.070 tors. eta vs tors. theta energy: -114.912 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: 1 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1275.516857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.516857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.516857 (E_RNA) where: Base-Base interactions energy: -841.428 where: short stacking energy: -354.966 Base-Backbone interact. energy: 0.770 local terms energy: -434.858808 where: bonds (distance) C4'-P energy: -80.631 bonds (distance) P-C4' energy: -85.274 flat angles C4'-P-C4' energy: -91.502 flat angles P-C4'-P energy: -72.099 tors. eta vs tors. theta energy: -105.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -1095.520782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.520782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.520782 (E_RNA) where: Base-Base interactions energy: -734.958 where: short stacking energy: -313.021 Base-Backbone interact. energy: 4.699 local terms energy: -365.261150 where: bonds (distance) C4'-P energy: -70.055 bonds (distance) P-C4' energy: -86.656 flat angles C4'-P-C4' energy: -87.013 flat angles P-C4'-P energy: -59.765 tors. eta vs tors. theta energy: -61.772 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: 10 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -750.731623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.731623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.731623 (E_RNA) where: Base-Base interactions energy: -438.397 where: short stacking energy: -210.743 Base-Backbone interact. energy: 5.598 local terms energy: -317.932653 where: bonds (distance) C4'-P energy: -76.785 bonds (distance) P-C4' energy: -94.497 flat angles C4'-P-C4' energy: -77.458 flat angles P-C4'-P energy: -26.223 tors. eta vs tors. theta energy: -42.969 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: 2 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1890.267335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.267335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.267335 (E_RNA) where: Base-Base interactions energy: -1339.852 where: short stacking energy: -520.282 Base-Backbone interact. energy: -1.408 local terms energy: -549.007777 where: bonds (distance) C4'-P energy: -99.931 bonds (distance) P-C4' energy: -89.675 flat angles C4'-P-C4' energy: -111.034 flat angles P-C4'-P energy: -85.683 tors. eta vs tors. theta energy: -162.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1788.206763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.206763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.206763 (E_RNA) where: Base-Base interactions energy: -1262.355 where: short stacking energy: -517.840 Base-Backbone interact. energy: -0.671 local terms energy: -525.180859 where: bonds (distance) C4'-P energy: -84.748 bonds (distance) P-C4' energy: -91.666 flat angles C4'-P-C4' energy: -110.378 flat angles P-C4'-P energy: -81.557 tors. eta vs tors. theta energy: -156.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1728.806136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.806136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.806136 (E_RNA) where: Base-Base interactions energy: -1223.600 where: short stacking energy: -506.073 Base-Backbone interact. energy: -1.420 local terms energy: -503.786072 where: bonds (distance) C4'-P energy: -86.302 bonds (distance) P-C4' energy: -83.798 flat angles C4'-P-C4' energy: -108.420 flat angles P-C4'-P energy: -72.153 tors. eta vs tors. theta energy: -153.113 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: 7 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1636.141056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.141056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.141056 (E_RNA) where: Base-Base interactions energy: -1138.767 where: short stacking energy: -472.993 Base-Backbone interact. energy: 3.495 local terms energy: -500.869056 where: bonds (distance) C4'-P energy: -86.887 bonds (distance) P-C4' energy: -99.679 flat angles C4'-P-C4' energy: -101.356 flat angles P-C4'-P energy: -72.309 tors. eta vs tors. theta energy: -140.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1590.746565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.746565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.746565 (E_RNA) where: Base-Base interactions energy: -1104.241 where: short stacking energy: -453.204 Base-Backbone interact. energy: -2.700 local terms energy: -483.804994 where: bonds (distance) C4'-P energy: -80.349 bonds (distance) P-C4' energy: -88.042 flat angles C4'-P-C4' energy: -104.912 flat angles P-C4'-P energy: -66.923 tors. eta vs tors. theta energy: -143.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1487.557369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.557369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.557369 (E_RNA) where: Base-Base interactions energy: -1038.617 where: short stacking energy: -426.942 Base-Backbone interact. energy: 1.108 local terms energy: -450.048751 where: bonds (distance) C4'-P energy: -76.255 bonds (distance) P-C4' energy: -82.797 flat angles C4'-P-C4' energy: -84.655 flat angles P-C4'-P energy: -69.133 tors. eta vs tors. theta energy: -137.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1325.091455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.091455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.091455 (E_RNA) where: Base-Base interactions energy: -920.791 where: short stacking energy: -375.380 Base-Backbone interact. energy: -1.449 local terms energy: -402.851699 where: bonds (distance) C4'-P energy: -74.967 bonds (distance) P-C4' energy: -77.278 flat angles C4'-P-C4' energy: -90.838 flat angles P-C4'-P energy: -50.946 tors. eta vs tors. theta energy: -108.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1261.576736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.576736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.576736 (E_RNA) where: Base-Base interactions energy: -845.477 where: short stacking energy: -356.234 Base-Backbone interact. energy: -0.571 local terms energy: -415.529139 where: bonds (distance) C4'-P energy: -64.681 bonds (distance) P-C4' energy: -83.743 flat angles C4'-P-C4' energy: -106.697 flat angles P-C4'-P energy: -66.381 tors. eta vs tors. theta energy: -94.028 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: 9 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -1092.537898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.537898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.537898 (E_RNA) where: Base-Base interactions energy: -688.751 where: short stacking energy: -295.380 Base-Backbone interact. energy: -1.118 local terms energy: -402.668973 where: bonds (distance) C4'-P energy: -91.077 bonds (distance) P-C4' energy: -77.121 flat angles C4'-P-C4' energy: -95.208 flat angles P-C4'-P energy: -68.692 tors. eta vs tors. theta energy: -70.571 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: 10, replica: 10 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -749.294139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.294139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.294139 (E_RNA) where: Base-Base interactions energy: -436.071 where: short stacking energy: -212.623 Base-Backbone interact. energy: 0.392 local terms energy: -313.615153 where: bonds (distance) C4'-P energy: -71.406 bonds (distance) P-C4' energy: -86.204 flat angles C4'-P-C4' energy: -75.187 flat angles P-C4'-P energy: -45.141 tors. eta vs tors. theta energy: -35.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1872.395772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.395772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.395772 (E_RNA) where: Base-Base interactions energy: -1318.018 where: short stacking energy: -519.115 Base-Backbone interact. energy: 0.464 local terms energy: -554.842328 where: bonds (distance) C4'-P energy: -88.909 bonds (distance) P-C4' energy: -107.447 flat angles C4'-P-C4' energy: -111.974 flat angles P-C4'-P energy: -81.540 tors. eta vs tors. theta energy: -164.972 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: 8 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1805.710441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.710441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.710441 (E_RNA) where: Base-Base interactions energy: -1267.696 where: short stacking energy: -520.986 Base-Backbone interact. energy: -1.125 local terms energy: -536.888788 where: bonds (distance) C4'-P energy: -90.672 bonds (distance) P-C4' energy: -93.396 flat angles C4'-P-C4' energy: -111.276 flat angles P-C4'-P energy: -76.900 tors. eta vs tors. theta energy: -164.645 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: 3, replica: 3 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1778.454339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.454339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.454339 (E_RNA) where: Base-Base interactions energy: -1255.317 where: short stacking energy: -494.414 Base-Backbone interact. energy: -1.203 local terms energy: -521.933983 where: bonds (distance) C4'-P energy: -94.878 bonds (distance) P-C4' energy: -91.179 flat angles C4'-P-C4' energy: -108.356 flat angles P-C4'-P energy: -67.038 tors. eta vs tors. theta energy: -160.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1622.545697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.545697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.545697 (E_RNA) where: Base-Base interactions energy: -1133.339 where: short stacking energy: -463.675 Base-Backbone interact. energy: -0.693 local terms energy: -488.513675 where: bonds (distance) C4'-P energy: -75.369 bonds (distance) P-C4' energy: -89.922 flat angles C4'-P-C4' energy: -102.039 flat angles P-C4'-P energy: -74.086 tors. eta vs tors. theta energy: -147.097 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: 330 Temperature: 1.100000 Total energy: -1590.127779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.127779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.127779 (E_RNA) where: Base-Base interactions energy: -1084.131 where: short stacking energy: -466.389 Base-Backbone interact. energy: -0.912 local terms energy: -505.084220 where: bonds (distance) C4'-P energy: -87.953 bonds (distance) P-C4' energy: -99.316 flat angles C4'-P-C4' energy: -108.893 flat angles P-C4'-P energy: -67.942 tors. eta vs tors. theta energy: -140.981 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: 4 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1485.740968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.740968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.740968 (E_RNA) where: Base-Base interactions energy: -1025.190 where: short stacking energy: -410.963 Base-Backbone interact. energy: -2.593 local terms energy: -457.958596 where: bonds (distance) C4'-P energy: -77.671 bonds (distance) P-C4' energy: -77.586 flat angles C4'-P-C4' energy: -102.867 flat angles P-C4'-P energy: -71.875 tors. eta vs tors. theta energy: -127.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1318.797425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.797425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.797425 (E_RNA) where: Base-Base interactions energy: -903.983 where: short stacking energy: -381.417 Base-Backbone interact. energy: -0.624 local terms energy: -414.190699 where: bonds (distance) C4'-P energy: -77.613 bonds (distance) P-C4' energy: -93.365 flat angles C4'-P-C4' energy: -85.589 flat angles P-C4'-P energy: -44.885 tors. eta vs tors. theta energy: -112.738 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: 8, replica: 1 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1278.372370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.372370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.372370 (E_RNA) where: Base-Base interactions energy: -858.482 where: short stacking energy: -362.047 Base-Backbone interact. energy: 1.320 local terms energy: -421.210322 where: bonds (distance) C4'-P energy: -79.713 bonds (distance) P-C4' energy: -85.389 flat angles C4'-P-C4' energy: -90.549 flat angles P-C4'-P energy: -57.414 tors. eta vs tors. theta energy: -108.145 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: 9, replica: 9 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -1143.426723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.426723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.426723 (E_RNA) where: Base-Base interactions energy: -775.016 where: short stacking energy: -302.676 Base-Backbone interact. energy: -1.265 local terms energy: -367.145316 where: bonds (distance) C4'-P energy: -73.473 bonds (distance) P-C4' energy: -92.363 flat angles C4'-P-C4' energy: -77.062 flat angles P-C4'-P energy: -49.726 tors. eta vs tors. theta energy: -74.521 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: 330 Temperature: 1.350000 Total energy: -787.348258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.348258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.348258 (E_RNA) where: Base-Base interactions energy: -456.753 where: short stacking energy: -203.140 Base-Backbone interact. energy: 4.814 local terms energy: -335.409342 where: bonds (distance) C4'-P energy: -84.693 bonds (distance) P-C4' energy: -89.200 flat angles C4'-P-C4' energy: -68.468 flat angles P-C4'-P energy: -50.457 tors. eta vs tors. theta energy: -42.590 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: 1, replica: 2 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1882.270198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.270198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.270198 (E_RNA) where: Base-Base interactions energy: -1333.255 where: short stacking energy: -528.371 Base-Backbone interact. energy: -1.241 local terms energy: -547.774160 where: bonds (distance) C4'-P energy: -95.936 bonds (distance) P-C4' energy: -102.647 flat angles C4'-P-C4' energy: -109.570 flat angles P-C4'-P energy: -81.023 tors. eta vs tors. theta energy: -158.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1785.526008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.526008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.526008 (E_RNA) where: Base-Base interactions energy: -1242.362 where: short stacking energy: -516.933 Base-Backbone interact. energy: -2.417 local terms energy: -540.746864 where: bonds (distance) C4'-P energy: -96.134 bonds (distance) P-C4' energy: -101.427 flat angles C4'-P-C4' energy: -110.326 flat angles P-C4'-P energy: -70.993 tors. eta vs tors. theta energy: -161.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1752.162912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.162912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.162912 (E_RNA) where: Base-Base interactions energy: -1250.132 where: short stacking energy: -519.281 Base-Backbone interact. energy: 1.118 local terms energy: -503.148574 where: bonds (distance) C4'-P energy: -69.908 bonds (distance) P-C4' energy: -80.577 flat angles C4'-P-C4' energy: -116.919 flat angles P-C4'-P energy: -80.999 tors. eta vs tors. theta energy: -154.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1655.704774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.704774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.704774 (E_RNA) where: Base-Base interactions energy: -1125.159 where: short stacking energy: -464.759 Base-Backbone interact. energy: 0.979 local terms energy: -531.524616 where: bonds (distance) C4'-P energy: -100.838 bonds (distance) P-C4' energy: -87.909 flat angles C4'-P-C4' energy: -107.877 flat angles P-C4'-P energy: -80.883 tors. eta vs tors. theta energy: -154.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1568.602420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.602420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.602420 (E_RNA) where: Base-Base interactions energy: -1084.803 where: short stacking energy: -448.715 Base-Backbone interact. energy: -1.643 local terms energy: -482.156153 where: bonds (distance) C4'-P energy: -86.840 bonds (distance) P-C4' energy: -85.376 flat angles C4'-P-C4' energy: -104.121 flat angles P-C4'-P energy: -67.552 tors. eta vs tors. theta energy: -138.267 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: 6, replica: 4 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1481.087696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.087696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.087696 (E_RNA) where: Base-Base interactions energy: -1021.130 where: short stacking energy: -428.787 Base-Backbone interact. energy: 0.080 local terms energy: -460.038413 where: bonds (distance) C4'-P energy: -75.316 bonds (distance) P-C4' energy: -90.812 flat angles C4'-P-C4' energy: -99.229 flat angles P-C4'-P energy: -63.762 tors. eta vs tors. theta energy: -130.919 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: 7, replica: 5 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1302.431434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.431434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.431434 (E_RNA) where: Base-Base interactions energy: -875.647 where: short stacking energy: -376.708 Base-Backbone interact. energy: 0.626 local terms energy: -427.411321 where: bonds (distance) C4'-P energy: -83.637 bonds (distance) P-C4' energy: -89.788 flat angles C4'-P-C4' energy: -99.029 flat angles P-C4'-P energy: -54.004 tors. eta vs tors. theta energy: -100.954 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: 1 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1266.144541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.144541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.144541 (E_RNA) where: Base-Base interactions energy: -863.267 where: short stacking energy: -354.156 Base-Backbone interact. energy: -0.262 local terms energy: -402.616300 where: bonds (distance) C4'-P energy: -90.910 bonds (distance) P-C4' energy: -73.078 flat angles C4'-P-C4' energy: -100.921 flat angles P-C4'-P energy: -49.648 tors. eta vs tors. theta energy: -88.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -1095.746010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.746010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.746010 (E_RNA) where: Base-Base interactions energy: -709.861 where: short stacking energy: -312.406 Base-Backbone interact. energy: -1.065 local terms energy: -384.820022 where: bonds (distance) C4'-P energy: -86.469 bonds (distance) P-C4' energy: -95.081 flat angles C4'-P-C4' energy: -84.394 flat angles P-C4'-P energy: -42.526 tors. eta vs tors. theta energy: -76.350 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: 10, replica: 10 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -751.155483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.155483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.155483 (E_RNA) where: Base-Base interactions energy: -437.538 where: short stacking energy: -210.416 Base-Backbone interact. energy: 4.634 local terms energy: -318.250935 where: bonds (distance) C4'-P energy: -71.423 bonds (distance) P-C4' energy: -76.699 flat angles C4'-P-C4' energy: -82.906 flat angles P-C4'-P energy: -45.036 tors. eta vs tors. theta energy: -42.188 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: 2 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1888.864707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.864707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.864707 (E_RNA) where: Base-Base interactions energy: -1346.413 where: short stacking energy: -549.012 Base-Backbone interact. energy: -1.186 local terms energy: -541.265790 where: bonds (distance) C4'-P energy: -95.093 bonds (distance) P-C4' energy: -86.644 flat angles C4'-P-C4' energy: -111.988 flat angles P-C4'-P energy: -79.839 tors. eta vs tors. theta energy: -167.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1821.492423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.492423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.492423 (E_RNA) where: Base-Base interactions energy: -1266.389 where: short stacking energy: -520.247 Base-Backbone interact. energy: -0.782 local terms energy: -554.321691 where: bonds (distance) C4'-P energy: -94.761 bonds (distance) P-C4' energy: -101.329 flat angles C4'-P-C4' energy: -112.855 flat angles P-C4'-P energy: -78.347 tors. eta vs tors. theta energy: -167.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1749.137279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.137279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.137279 (E_RNA) where: Base-Base interactions energy: -1236.617 where: short stacking energy: -503.863 Base-Backbone interact. energy: -0.474 local terms energy: -512.045739 where: bonds (distance) C4'-P energy: -72.210 bonds (distance) P-C4' energy: -100.585 flat angles C4'-P-C4' energy: -111.002 flat angles P-C4'-P energy: -75.717 tors. eta vs tors. theta energy: -152.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1649.108135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.108135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.108135 (E_RNA) where: Base-Base interactions energy: -1129.565 where: short stacking energy: -475.782 Base-Backbone interact. energy: -0.294 local terms energy: -519.249705 where: bonds (distance) C4'-P energy: -94.207 bonds (distance) P-C4' energy: -99.792 flat angles C4'-P-C4' energy: -108.871 flat angles P-C4'-P energy: -62.826 tors. eta vs tors. theta energy: -153.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1579.512584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.512584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.512584 (E_RNA) where: Base-Base interactions energy: -1110.148 where: short stacking energy: -451.340 Base-Backbone interact. energy: -2.596 local terms energy: -466.768728 where: bonds (distance) C4'-P energy: -76.926 bonds (distance) P-C4' energy: -80.486 flat angles C4'-P-C4' energy: -105.192 flat angles P-C4'-P energy: -65.299 tors. eta vs tors. theta energy: -138.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1458.203691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.203691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.203691 (E_RNA) where: Base-Base interactions energy: -1010.089 where: short stacking energy: -408.375 Base-Backbone interact. energy: 1.013 local terms energy: -449.127592 where: bonds (distance) C4'-P energy: -78.669 bonds (distance) P-C4' energy: -77.014 flat angles C4'-P-C4' energy: -92.053 flat angles P-C4'-P energy: -78.349 tors. eta vs tors. theta energy: -123.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1325.167305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.167305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.167305 (E_RNA) where: Base-Base interactions energy: -913.832 where: short stacking energy: -376.049 Base-Backbone interact. energy: 1.158 local terms energy: -412.493192 where: bonds (distance) C4'-P energy: -68.353 bonds (distance) P-C4' energy: -78.292 flat angles C4'-P-C4' energy: -99.715 flat angles P-C4'-P energy: -70.783 tors. eta vs tors. theta energy: -95.349 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: 8, replica: 5 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1280.412630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.412630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.412630 (E_RNA) where: Base-Base interactions energy: -856.598 where: short stacking energy: -340.282 Base-Backbone interact. energy: -2.147 local terms energy: -421.666917 where: bonds (distance) C4'-P energy: -83.864 bonds (distance) P-C4' energy: -82.972 flat angles C4'-P-C4' energy: -93.396 flat angles P-C4'-P energy: -68.939 tors. eta vs tors. theta energy: -92.496 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: 9 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -1069.302332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.302332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.302332 (E_RNA) where: Base-Base interactions energy: -707.905 where: short stacking energy: -287.976 Base-Backbone interact. energy: -0.758 local terms energy: -360.638967 where: bonds (distance) C4'-P energy: -72.981 bonds (distance) P-C4' energy: -81.356 flat angles C4'-P-C4' energy: -92.363 flat angles P-C4'-P energy: -48.015 tors. eta vs tors. theta energy: -65.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -821.793980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.793980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.793980 (E_RNA) where: Base-Base interactions energy: -486.977 where: short stacking energy: -207.880 Base-Backbone interact. energy: 3.027 local terms energy: -337.844116 where: bonds (distance) C4'-P energy: -63.647 bonds (distance) P-C4' energy: -94.923 flat angles C4'-P-C4' energy: -75.004 flat angles P-C4'-P energy: -67.873 tors. eta vs tors. theta energy: -36.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1907.294224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.294224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.294224 (E_RNA) where: Base-Base interactions energy: -1347.722 where: short stacking energy: -542.023 Base-Backbone interact. energy: 1.813 local terms energy: -561.385461 where: bonds (distance) C4'-P energy: -96.855 bonds (distance) P-C4' energy: -103.361 flat angles C4'-P-C4' energy: -109.547 flat angles P-C4'-P energy: -83.846 tors. eta vs tors. theta energy: -167.775 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: 8 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1796.025847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.025847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.025847 (E_RNA) where: Base-Base interactions energy: -1240.656 where: short stacking energy: -511.714 Base-Backbone interact. energy: -1.140 local terms energy: -554.229993 where: bonds (distance) C4'-P energy: -89.112 bonds (distance) P-C4' energy: -103.326 flat angles C4'-P-C4' energy: -109.651 flat angles P-C4'-P energy: -94.845 tors. eta vs tors. theta energy: -157.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1755.918038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.918038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.918038 (E_RNA) where: Base-Base interactions energy: -1233.158 where: short stacking energy: -496.993 Base-Backbone interact. energy: -0.269 local terms energy: -522.491001 where: bonds (distance) C4'-P energy: -84.620 bonds (distance) P-C4' energy: -97.320 flat angles C4'-P-C4' energy: -104.138 flat angles P-C4'-P energy: -73.335 tors. eta vs tors. theta energy: -163.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1630.705909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.705909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.705909 (E_RNA) where: Base-Base interactions energy: -1137.437 where: short stacking energy: -481.851 Base-Backbone interact. energy: -0.199 local terms energy: -493.069449 where: bonds (distance) C4'-P energy: -75.582 bonds (distance) P-C4' energy: -88.271 flat angles C4'-P-C4' energy: -113.519 flat angles P-C4'-P energy: -68.984 tors. eta vs tors. theta energy: -146.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1585.906794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.906794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.906794 (E_RNA) where: Base-Base interactions energy: -1089.470 where: short stacking energy: -453.641 Base-Backbone interact. energy: -2.399 local terms energy: -494.038511 where: bonds (distance) C4'-P energy: -88.810 bonds (distance) P-C4' energy: -100.181 flat angles C4'-P-C4' energy: -100.031 flat angles P-C4'-P energy: -71.436 tors. eta vs tors. theta energy: -133.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1487.544548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.544548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.544548 (E_RNA) where: Base-Base interactions energy: -1035.121 where: short stacking energy: -437.050 Base-Backbone interact. energy: 1.130 local terms energy: -453.552964 where: bonds (distance) C4'-P energy: -81.843 bonds (distance) P-C4' energy: -76.866 flat angles C4'-P-C4' energy: -97.517 flat angles P-C4'-P energy: -63.439 tors. eta vs tors. theta energy: -133.889 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: 1 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1349.568832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.568832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.568832 (E_RNA) where: Base-Base interactions energy: -907.185 where: short stacking energy: -381.454 Base-Backbone interact. energy: -2.417 local terms energy: -439.967334 where: bonds (distance) C4'-P energy: -89.420 bonds (distance) P-C4' energy: -81.867 flat angles C4'-P-C4' energy: -97.944 flat angles P-C4'-P energy: -62.471 tors. eta vs tors. theta energy: -108.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1260.609728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.609728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.609728 (E_RNA) where: Base-Base interactions energy: -846.584 where: short stacking energy: -344.469 Base-Backbone interact. energy: -1.593 local terms energy: -412.432364 where: bonds (distance) C4'-P energy: -65.840 bonds (distance) P-C4' energy: -87.677 flat angles C4'-P-C4' energy: -87.293 flat angles P-C4'-P energy: -67.611 tors. eta vs tors. theta energy: -104.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -1077.668922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.668922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.668922 (E_RNA) where: Base-Base interactions energy: -705.335 where: short stacking energy: -298.499 Base-Backbone interact. energy: 0.832 local terms energy: -373.165657 where: bonds (distance) C4'-P energy: -88.442 bonds (distance) P-C4' energy: -82.939 flat angles C4'-P-C4' energy: -85.510 flat angles P-C4'-P energy: -50.875 tors. eta vs tors. theta energy: -65.400 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: 10 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -849.281753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.281753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.281753 (E_RNA) where: Base-Base interactions energy: -537.590 where: short stacking energy: -238.344 Base-Backbone interact. energy: -1.040 local terms energy: -310.650877 where: bonds (distance) C4'-P energy: -83.240 bonds (distance) P-C4' energy: -74.656 flat angles C4'-P-C4' energy: -75.078 flat angles P-C4'-P energy: -35.846 tors. eta vs tors. theta energy: -41.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1897.184632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.184632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.184632 (E_RNA) where: Base-Base interactions energy: -1331.773 where: short stacking energy: -528.799 Base-Backbone interact. energy: 1.901 local terms energy: -567.312567 where: bonds (distance) C4'-P energy: -100.288 bonds (distance) P-C4' energy: -107.303 flat angles C4'-P-C4' energy: -115.601 flat angles P-C4'-P energy: -83.805 tors. eta vs tors. theta energy: -160.315 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: 8 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1781.148891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.148891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.148891 (E_RNA) where: Base-Base interactions energy: -1221.108 where: short stacking energy: -508.405 Base-Backbone interact. energy: -1.305 local terms energy: -558.735488 where: bonds (distance) C4'-P energy: -101.077 bonds (distance) P-C4' energy: -104.867 flat angles C4'-P-C4' energy: -115.827 flat angles P-C4'-P energy: -68.913 tors. eta vs tors. theta energy: -168.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1762.564908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.564908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.564908 (E_RNA) where: Base-Base interactions energy: -1233.196 where: short stacking energy: -497.079 Base-Backbone interact. energy: -0.946 local terms energy: -528.423152 where: bonds (distance) C4'-P energy: -88.188 bonds (distance) P-C4' energy: -87.695 flat angles C4'-P-C4' energy: -113.900 flat angles P-C4'-P energy: -81.121 tors. eta vs tors. theta energy: -157.520 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: 7 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1625.778932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.778932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.778932 (E_RNA) where: Base-Base interactions energy: -1123.558 where: short stacking energy: -461.981 Base-Backbone interact. energy: 2.600 local terms energy: -504.820500 where: bonds (distance) C4'-P energy: -97.463 bonds (distance) P-C4' energy: -87.132 flat angles C4'-P-C4' energy: -112.024 flat angles P-C4'-P energy: -61.182 tors. eta vs tors. theta energy: -147.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1608.134275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.134275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.134275 (E_RNA) where: Base-Base interactions energy: -1116.635 where: short stacking energy: -458.941 Base-Backbone interact. energy: 0.685 local terms energy: -492.184379 where: bonds (distance) C4'-P energy: -83.573 bonds (distance) P-C4' energy: -94.948 flat angles C4'-P-C4' energy: -111.490 flat angles P-C4'-P energy: -70.032 tors. eta vs tors. theta energy: -132.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1502.531539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.531539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.531539 (E_RNA) where: Base-Base interactions energy: -1017.263 where: short stacking energy: -405.441 Base-Backbone interact. energy: 0.251 local terms energy: -485.519767 where: bonds (distance) C4'-P energy: -76.223 bonds (distance) P-C4' energy: -91.034 flat angles C4'-P-C4' energy: -112.382 flat angles P-C4'-P energy: -71.956 tors. eta vs tors. theta energy: -133.925 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: 1 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1325.310025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.310025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.310025 (E_RNA) where: Base-Base interactions energy: -906.191 where: short stacking energy: -374.428 Base-Backbone interact. energy: -3.110 local terms energy: -416.009653 where: bonds (distance) C4'-P energy: -80.132 bonds (distance) P-C4' energy: -85.426 flat angles C4'-P-C4' energy: -93.905 flat angles P-C4'-P energy: -47.135 tors. eta vs tors. theta energy: -109.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1260.951263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.951263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.951263 (E_RNA) where: Base-Base interactions energy: -858.717 where: short stacking energy: -345.644 Base-Backbone interact. energy: -1.192 local terms energy: -401.042535 where: bonds (distance) C4'-P energy: -80.534 bonds (distance) P-C4' energy: -69.200 flat angles C4'-P-C4' energy: -99.677 flat angles P-C4'-P energy: -50.866 tors. eta vs tors. theta energy: -100.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -1087.774069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.774069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.774069 (E_RNA) where: Base-Base interactions energy: -725.124 where: short stacking energy: -315.721 Base-Backbone interact. energy: -0.977 local terms energy: -361.673301 where: bonds (distance) C4'-P energy: -54.495 bonds (distance) P-C4' energy: -91.322 flat angles C4'-P-C4' energy: -89.618 flat angles P-C4'-P energy: -56.070 tors. eta vs tors. theta energy: -70.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -779.787577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.787577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.787577 (E_RNA) where: Base-Base interactions energy: -463.727 where: short stacking energy: -219.483 Base-Backbone interact. energy: 1.455 local terms energy: -317.515239 where: bonds (distance) C4'-P energy: -72.983 bonds (distance) P-C4' energy: -89.671 flat angles C4'-P-C4' energy: -69.243 flat angles P-C4'-P energy: -52.826 tors. eta vs tors. theta energy: -32.793 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: 2 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1892.127772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.127772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.127772 (E_RNA) where: Base-Base interactions energy: -1337.265 where: short stacking energy: -538.382 Base-Backbone interact. energy: -0.781 local terms energy: -554.081177 where: bonds (distance) C4'-P energy: -99.025 bonds (distance) P-C4' energy: -90.762 flat angles C4'-P-C4' energy: -117.820 flat angles P-C4'-P energy: -85.035 tors. eta vs tors. theta energy: -161.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1786.371225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.371225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.371225 (E_RNA) where: Base-Base interactions energy: -1267.400 where: short stacking energy: -522.148 Base-Backbone interact. energy: -0.811 local terms energy: -518.160079 where: bonds (distance) C4'-P energy: -91.746 bonds (distance) P-C4' energy: -83.637 flat angles C4'-P-C4' energy: -114.337 flat angles P-C4'-P energy: -77.411 tors. eta vs tors. theta energy: -151.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1757.708373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.708373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.708373 (E_RNA) where: Base-Base interactions energy: -1226.280 where: short stacking energy: -499.737 Base-Backbone interact. energy: -0.783 local terms energy: -530.645125 where: bonds (distance) C4'-P energy: -97.552 bonds (distance) P-C4' energy: -91.239 flat angles C4'-P-C4' energy: -110.913 flat angles P-C4'-P energy: -75.247 tors. eta vs tors. theta energy: -155.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1640.311318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.311318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.311318 (E_RNA) where: Base-Base interactions energy: -1139.392 where: short stacking energy: -471.121 Base-Backbone interact. energy: -1.150 local terms energy: -499.768820 where: bonds (distance) C4'-P energy: -82.379 bonds (distance) P-C4' energy: -82.165 flat angles C4'-P-C4' energy: -104.233 flat angles P-C4'-P energy: -79.821 tors. eta vs tors. theta energy: -151.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1589.663205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.663205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.663205 (E_RNA) where: Base-Base interactions energy: -1113.086 where: short stacking energy: -460.640 Base-Backbone interact. energy: -1.597 local terms energy: -474.980878 where: bonds (distance) C4'-P energy: -95.048 bonds (distance) P-C4' energy: -84.677 flat angles C4'-P-C4' energy: -98.740 flat angles P-C4'-P energy: -57.491 tors. eta vs tors. theta energy: -139.025 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: 4 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1487.823836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.823836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.823836 (E_RNA) where: Base-Base interactions energy: -1045.278 where: short stacking energy: -441.905 Base-Backbone interact. energy: 4.976 local terms energy: -447.522360 where: bonds (distance) C4'-P energy: -81.806 bonds (distance) P-C4' energy: -85.352 flat angles C4'-P-C4' energy: -88.528 flat angles P-C4'-P energy: -65.856 tors. eta vs tors. theta energy: -125.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1373.180949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.180949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.180949 (E_RNA) where: Base-Base interactions energy: -961.209 where: short stacking energy: -382.738 Base-Backbone interact. energy: -0.064 local terms energy: -411.907608 where: bonds (distance) C4'-P energy: -90.783 bonds (distance) P-C4' energy: -70.164 flat angles C4'-P-C4' energy: -85.283 flat angles P-C4'-P energy: -67.978 tors. eta vs tors. theta energy: -97.699 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: 5 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1281.757173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.757173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.757173 (E_RNA) where: Base-Base interactions energy: -883.731 where: short stacking energy: -350.341 Base-Backbone interact. energy: -0.756 local terms energy: -397.270228 where: bonds (distance) C4'-P energy: -84.780 bonds (distance) P-C4' energy: -72.504 flat angles C4'-P-C4' energy: -89.921 flat angles P-C4'-P energy: -48.686 tors. eta vs tors. theta energy: -101.380 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: 9 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -1079.251890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.251890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.251890 (E_RNA) where: Base-Base interactions energy: -700.079 where: short stacking energy: -302.693 Base-Backbone interact. energy: 0.359 local terms energy: -379.531743 where: bonds (distance) C4'-P energy: -75.485 bonds (distance) P-C4' energy: -85.334 flat angles C4'-P-C4' energy: -85.256 flat angles P-C4'-P energy: -61.482 tors. eta vs tors. theta energy: -71.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -789.887057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.887057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.887057 (E_RNA) where: Base-Base interactions energy: -477.359 where: short stacking energy: -216.484 Base-Backbone interact. energy: -0.508 local terms energy: -312.020671 where: bonds (distance) C4'-P energy: -87.453 bonds (distance) P-C4' energy: -79.773 flat angles C4'-P-C4' energy: -69.851 flat angles P-C4'-P energy: -42.226 tors. eta vs tors. theta energy: -32.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1900.327910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.327910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.327910 (E_RNA) where: Base-Base interactions energy: -1339.769 where: short stacking energy: -535.300 Base-Backbone interact. energy: 0.111 local terms energy: -560.669246 where: bonds (distance) C4'-P energy: -97.613 bonds (distance) P-C4' energy: -102.857 flat angles C4'-P-C4' energy: -113.747 flat angles P-C4'-P energy: -83.585 tors. eta vs tors. theta energy: -162.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1802.695722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.695722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.695722 (E_RNA) where: Base-Base interactions energy: -1278.304 where: short stacking energy: -515.289 Base-Backbone interact. energy: -1.644 local terms energy: -522.748496 where: bonds (distance) C4'-P energy: -89.210 bonds (distance) P-C4' energy: -85.438 flat angles C4'-P-C4' energy: -99.863 flat angles P-C4'-P energy: -85.440 tors. eta vs tors. theta energy: -162.797 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: 3, replica: 8 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1756.457673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.457673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.457673 (E_RNA) where: Base-Base interactions energy: -1231.074 where: short stacking energy: -489.260 Base-Backbone interact. energy: -1.525 local terms energy: -523.859356 where: bonds (distance) C4'-P energy: -88.339 bonds (distance) P-C4' energy: -86.542 flat angles C4'-P-C4' energy: -110.616 flat angles P-C4'-P energy: -80.399 tors. eta vs tors. theta energy: -157.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1665.227003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.227003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.227003 (E_RNA) where: Base-Base interactions energy: -1147.904 where: short stacking energy: -472.903 Base-Backbone interact. energy: -1.674 local terms energy: -515.648665 where: bonds (distance) C4'-P energy: -104.438 bonds (distance) P-C4' energy: -77.449 flat angles C4'-P-C4' energy: -111.598 flat angles P-C4'-P energy: -74.214 tors. eta vs tors. theta energy: -147.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1601.617339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.617339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.617339 (E_RNA) where: Base-Base interactions energy: -1126.980 where: short stacking energy: -472.959 Base-Backbone interact. energy: -0.423 local terms energy: -474.214317 where: bonds (distance) C4'-P energy: -82.618 bonds (distance) P-C4' energy: -87.617 flat angles C4'-P-C4' energy: -102.999 flat angles P-C4'-P energy: -61.265 tors. eta vs tors. theta energy: -139.715 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: 4 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1490.305624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.305624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.305624 (E_RNA) where: Base-Base interactions energy: -1017.916 where: short stacking energy: -408.986 Base-Backbone interact. energy: 1.127 local terms energy: -473.516939 where: bonds (distance) C4'-P energy: -97.471 bonds (distance) P-C4' energy: -101.673 flat angles C4'-P-C4' energy: -93.997 flat angles P-C4'-P energy: -54.914 tors. eta vs tors. theta energy: -125.462 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: 1 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1368.794212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.794212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.794212 (E_RNA) where: Base-Base interactions energy: -942.538 where: short stacking energy: -395.400 Base-Backbone interact. energy: -1.072 local terms energy: -425.183936 where: bonds (distance) C4'-P energy: -76.806 bonds (distance) P-C4' energy: -83.059 flat angles C4'-P-C4' energy: -89.783 flat angles P-C4'-P energy: -63.434 tors. eta vs tors. theta energy: -112.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1224.193110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.193110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.193110 (E_RNA) where: Base-Base interactions energy: -824.421 where: short stacking energy: -350.024 Base-Backbone interact. energy: 0.109 local terms energy: -399.880964 where: bonds (distance) C4'-P energy: -87.826 bonds (distance) P-C4' energy: -79.072 flat angles C4'-P-C4' energy: -93.411 flat angles P-C4'-P energy: -48.319 tors. eta vs tors. theta energy: -91.252 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: 9, replica: 9 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -1100.478779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.478779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.478779 (E_RNA) where: Base-Base interactions energy: -731.526 where: short stacking energy: -318.991 Base-Backbone interact. energy: -0.928 local terms energy: -368.024389 where: bonds (distance) C4'-P energy: -72.581 bonds (distance) P-C4' energy: -81.468 flat angles C4'-P-C4' energy: -81.309 flat angles P-C4'-P energy: -60.007 tors. eta vs tors. theta energy: -72.659 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: 10 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -755.320728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.320728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.320728 (E_RNA) where: Base-Base interactions energy: -455.484 where: short stacking energy: -212.910 Base-Backbone interact. energy: -1.765 local terms energy: -298.070794 where: bonds (distance) C4'-P energy: -88.599 bonds (distance) P-C4' energy: -73.935 flat angles C4'-P-C4' energy: -66.790 flat angles P-C4'-P energy: -43.979 tors. eta vs tors. theta energy: -24.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1896.562618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.562618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.562618 (E_RNA) where: Base-Base interactions energy: -1341.763 where: short stacking energy: -540.840 Base-Backbone interact. energy: -1.317 local terms energy: -553.482369 where: bonds (distance) C4'-P energy: -95.346 bonds (distance) P-C4' energy: -100.043 flat angles C4'-P-C4' energy: -116.316 flat angles P-C4'-P energy: -76.712 tors. eta vs tors. theta energy: -165.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1802.214533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.214533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.214533 (E_RNA) where: Base-Base interactions energy: -1252.264 where: short stacking energy: -507.355 Base-Backbone interact. energy: -1.477 local terms energy: -548.472897 where: bonds (distance) C4'-P energy: -96.566 bonds (distance) P-C4' energy: -102.501 flat angles C4'-P-C4' energy: -110.221 flat angles P-C4'-P energy: -81.049 tors. eta vs tors. theta energy: -158.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1749.318090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.318090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.318090 (E_RNA) where: Base-Base interactions energy: -1201.982 where: short stacking energy: -490.117 Base-Backbone interact. energy: -1.744 local terms energy: -545.592701 where: bonds (distance) C4'-P energy: -93.127 bonds (distance) P-C4' energy: -98.628 flat angles C4'-P-C4' energy: -114.907 flat angles P-C4'-P energy: -84.339 tors. eta vs tors. theta energy: -154.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1650.061619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.061619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.061619 (E_RNA) where: Base-Base interactions energy: -1133.926 where: short stacking energy: -489.422 Base-Backbone interact. energy: -1.154 local terms energy: -514.982018 where: bonds (distance) C4'-P energy: -93.758 bonds (distance) P-C4' energy: -97.137 flat angles C4'-P-C4' energy: -107.110 flat angles P-C4'-P energy: -60.748 tors. eta vs tors. theta energy: -156.229 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: 6 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1594.674979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.674979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.674979 (E_RNA) where: Base-Base interactions energy: -1100.585 where: short stacking energy: -454.466 Base-Backbone interact. energy: -2.896 local terms energy: -491.193726 where: bonds (distance) C4'-P energy: -88.349 bonds (distance) P-C4' energy: -75.180 flat angles C4'-P-C4' energy: -110.439 flat angles P-C4'-P energy: -77.875 tors. eta vs tors. theta energy: -139.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1474.817586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.817586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.817586 (E_RNA) where: Base-Base interactions energy: -1029.767 where: short stacking energy: -415.858 Base-Backbone interact. energy: 0.057 local terms energy: -445.107458 where: bonds (distance) C4'-P energy: -84.284 bonds (distance) P-C4' energy: -85.923 flat angles C4'-P-C4' energy: -92.100 flat angles P-C4'-P energy: -58.603 tors. eta vs tors. theta energy: -124.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1385.417471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.417471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.417471 (E_RNA) where: Base-Base interactions energy: -977.863 where: short stacking energy: -400.685 Base-Backbone interact. energy: 1.394 local terms energy: -408.948355 where: bonds (distance) C4'-P energy: -85.877 bonds (distance) P-C4' energy: -79.158 flat angles C4'-P-C4' energy: -99.718 flat angles P-C4'-P energy: -43.183 tors. eta vs tors. theta energy: -101.011 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: 5 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1255.234559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.234559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.234559 (E_RNA) where: Base-Base interactions energy: -830.691 where: short stacking energy: -344.173 Base-Backbone interact. energy: -1.818 local terms energy: -422.725547 where: bonds (distance) C4'-P energy: -83.932 bonds (distance) P-C4' energy: -84.764 flat angles C4'-P-C4' energy: -101.008 flat angles P-C4'-P energy: -57.669 tors. eta vs tors. theta energy: -95.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -1072.279471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.279471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.279471 (E_RNA) where: Base-Base interactions energy: -716.663 where: short stacking energy: -309.841 Base-Backbone interact. energy: 2.776 local terms energy: -358.392006 where: bonds (distance) C4'-P energy: -66.391 bonds (distance) P-C4' energy: -79.890 flat angles C4'-P-C4' energy: -87.921 flat angles P-C4'-P energy: -57.537 tors. eta vs tors. theta energy: -66.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -767.979494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.979494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.979494 (E_RNA) where: Base-Base interactions energy: -463.743 where: short stacking energy: -218.387 Base-Backbone interact. energy: -1.615 local terms energy: -302.621525 where: bonds (distance) C4'-P energy: -79.308 bonds (distance) P-C4' energy: -77.056 flat angles C4'-P-C4' energy: -67.789 flat angles P-C4'-P energy: -50.059 tors. eta vs tors. theta energy: -28.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1882.308173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.308173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.308173 (E_RNA) where: Base-Base interactions energy: -1355.225 where: short stacking energy: -552.687 Base-Backbone interact. energy: -1.377 local terms energy: -525.706135 where: bonds (distance) C4'-P energy: -86.106 bonds (distance) P-C4' energy: -83.567 flat angles C4'-P-C4' energy: -113.325 flat angles P-C4'-P energy: -76.321 tors. eta vs tors. theta energy: -166.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1787.688258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.688258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.688258 (E_RNA) where: Base-Base interactions energy: -1265.482 where: short stacking energy: -513.378 Base-Backbone interact. energy: 0.703 local terms energy: -522.909263 where: bonds (distance) C4'-P energy: -97.530 bonds (distance) P-C4' energy: -83.718 flat angles C4'-P-C4' energy: -105.794 flat angles P-C4'-P energy: -77.367 tors. eta vs tors. theta energy: -158.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1744.264494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.264494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.264494 (E_RNA) where: Base-Base interactions energy: -1232.412 where: short stacking energy: -511.546 Base-Backbone interact. energy: -1.002 local terms energy: -510.849792 where: bonds (distance) C4'-P energy: -93.088 bonds (distance) P-C4' energy: -88.448 flat angles C4'-P-C4' energy: -109.523 flat angles P-C4'-P energy: -68.264 tors. eta vs tors. theta energy: -151.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1654.820468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.820468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.820468 (E_RNA) where: Base-Base interactions energy: -1142.295 where: short stacking energy: -485.218 Base-Backbone interact. energy: -0.250 local terms energy: -512.275189 where: bonds (distance) C4'-P energy: -76.125 bonds (distance) P-C4' energy: -91.401 flat angles C4'-P-C4' energy: -104.521 flat angles P-C4'-P energy: -74.765 tors. eta vs tors. theta energy: -165.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1590.606260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.606260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.606260 (E_RNA) where: Base-Base interactions energy: -1104.873 where: short stacking energy: -451.021 Base-Backbone interact. energy: -2.639 local terms energy: -483.093967 where: bonds (distance) C4'-P energy: -77.663 bonds (distance) P-C4' energy: -95.873 flat angles C4'-P-C4' energy: -109.141 flat angles P-C4'-P energy: -66.411 tors. eta vs tors. theta energy: -134.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1507.088145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.088145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.088145 (E_RNA) where: Base-Base interactions energy: -1041.701 where: short stacking energy: -441.765 Base-Backbone interact. energy: 0.941 local terms energy: -466.328033 where: bonds (distance) C4'-P energy: -77.158 bonds (distance) P-C4' energy: -88.141 flat angles C4'-P-C4' energy: -96.146 flat angles P-C4'-P energy: -67.247 tors. eta vs tors. theta energy: -137.637 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: 5 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1282.099881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.099881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.099881 (E_RNA) where: Base-Base interactions energy: -840.587 where: short stacking energy: -365.425 Base-Backbone interact. energy: -0.772 local terms energy: -440.741252 where: bonds (distance) C4'-P energy: -73.926 bonds (distance) P-C4' energy: -79.276 flat angles C4'-P-C4' energy: -103.814 flat angles P-C4'-P energy: -73.638 tors. eta vs tors. theta energy: -110.087 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: 1 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1307.900602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.900602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.900602 (E_RNA) where: Base-Base interactions energy: -897.444 where: short stacking energy: -372.003 Base-Backbone interact. energy: -0.156 local terms energy: -410.300736 where: bonds (distance) C4'-P energy: -77.777 bonds (distance) P-C4' energy: -81.668 flat angles C4'-P-C4' energy: -82.595 flat angles P-C4'-P energy: -65.200 tors. eta vs tors. theta energy: -103.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -1064.225817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.225817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.225817 (E_RNA) where: Base-Base interactions energy: -722.906 where: short stacking energy: -324.704 Base-Backbone interact. energy: -0.574 local terms energy: -340.746270 where: bonds (distance) C4'-P energy: -73.962 bonds (distance) P-C4' energy: -64.964 flat angles C4'-P-C4' energy: -90.250 flat angles P-C4'-P energy: -32.589 tors. eta vs tors. theta energy: -78.982 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: 10 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -741.437391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.437391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.437391 (E_RNA) where: Base-Base interactions energy: -438.411 where: short stacking energy: -182.634 Base-Backbone interact. energy: -2.168 local terms energy: -300.858467 where: bonds (distance) C4'-P energy: -96.793 bonds (distance) P-C4' energy: -75.650 flat angles C4'-P-C4' energy: -48.761 flat angles P-C4'-P energy: -56.204 tors. eta vs tors. theta energy: -23.450 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: 339 Temperature: 0.900000 Total energy: -1923.560704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.560704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.560704 (E_RNA) where: Base-Base interactions energy: -1364.062 where: short stacking energy: -551.984 Base-Backbone interact. energy: 0.150 local terms energy: -559.649190 where: bonds (distance) C4'-P energy: -97.579 bonds (distance) P-C4' energy: -92.999 flat angles C4'-P-C4' energy: -116.452 flat angles P-C4'-P energy: -88.249 tors. eta vs tors. theta energy: -164.371 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: 3 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1804.273795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.273795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.273795 (E_RNA) where: Base-Base interactions energy: -1268.830 where: short stacking energy: -508.440 Base-Backbone interact. energy: 3.761 local terms energy: -539.205068 where: bonds (distance) C4'-P energy: -84.944 bonds (distance) P-C4' energy: -89.264 flat angles C4'-P-C4' energy: -113.876 flat angles P-C4'-P energy: -84.450 tors. eta vs tors. theta energy: -166.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1708.435405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.435405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.435405 (E_RNA) where: Base-Base interactions energy: -1191.399 where: short stacking energy: -496.164 Base-Backbone interact. energy: 2.190 local terms energy: -519.225739 where: bonds (distance) C4'-P energy: -99.540 bonds (distance) P-C4' energy: -87.926 flat angles C4'-P-C4' energy: -108.144 flat angles P-C4'-P energy: -75.365 tors. eta vs tors. theta energy: -148.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1653.691752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.691752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.691752 (E_RNA) where: Base-Base interactions energy: -1153.377 where: short stacking energy: -489.949 Base-Backbone interact. energy: -1.082 local terms energy: -499.233516 where: bonds (distance) C4'-P energy: -86.538 bonds (distance) P-C4' energy: -95.271 flat angles C4'-P-C4' energy: -100.469 flat angles P-C4'-P energy: -74.167 tors. eta vs tors. theta energy: -142.788 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: 6 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1574.911970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.911970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.911970 (E_RNA) where: Base-Base interactions energy: -1098.739 where: short stacking energy: -466.253 Base-Backbone interact. energy: -1.229 local terms energy: -474.944121 where: bonds (distance) C4'-P energy: -82.052 bonds (distance) P-C4' energy: -85.998 flat angles C4'-P-C4' energy: -103.104 flat angles P-C4'-P energy: -61.390 tors. eta vs tors. theta energy: -142.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1473.580259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.580259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.580259 (E_RNA) where: Base-Base interactions energy: -1009.193 where: short stacking energy: -415.530 Base-Backbone interact. energy: -0.319 local terms energy: -464.068719 where: bonds (distance) C4'-P energy: -82.608 bonds (distance) P-C4' energy: -82.740 flat angles C4'-P-C4' energy: -99.051 flat angles P-C4'-P energy: -78.033 tors. eta vs tors. theta energy: -121.637 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: 5 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1265.384587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.384587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.384587 (E_RNA) where: Base-Base interactions energy: -821.211 where: short stacking energy: -345.236 Base-Backbone interact. energy: -0.159 local terms energy: -444.015002 where: bonds (distance) C4'-P energy: -92.048 bonds (distance) P-C4' energy: -83.459 flat angles C4'-P-C4' energy: -96.927 flat angles P-C4'-P energy: -68.452 tors. eta vs tors. theta energy: -103.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1269.290142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.290142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.290142 (E_RNA) where: Base-Base interactions energy: -865.575 where: short stacking energy: -353.327 Base-Backbone interact. energy: -2.338 local terms energy: -401.376979 where: bonds (distance) C4'-P energy: -70.441 bonds (distance) P-C4' energy: -88.799 flat angles C4'-P-C4' energy: -85.000 flat angles P-C4'-P energy: -60.005 tors. eta vs tors. theta energy: -97.132 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: 9, replica: 9 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -1068.492125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.492125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.492125 (E_RNA) where: Base-Base interactions energy: -707.431 where: short stacking energy: -302.038 Base-Backbone interact. energy: -0.592 local terms energy: -360.469064 where: bonds (distance) C4'-P energy: -76.747 bonds (distance) P-C4' energy: -79.613 flat angles C4'-P-C4' energy: -73.259 flat angles P-C4'-P energy: -59.172 tors. eta vs tors. theta energy: -71.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -744.685103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.685103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.685103 (E_RNA) where: Base-Base interactions energy: -444.260 where: short stacking energy: -202.220 Base-Backbone interact. energy: -1.323 local terms energy: -299.102337 where: bonds (distance) C4'-P energy: -74.212 bonds (distance) P-C4' energy: -76.628 flat angles C4'-P-C4' energy: -66.193 flat angles P-C4'-P energy: -52.276 tors. eta vs tors. theta energy: -29.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1905.523474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.523474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.523474 (E_RNA) where: Base-Base interactions energy: -1335.712 where: short stacking energy: -539.359 Base-Backbone interact. energy: -3.403 local terms energy: -566.408994 where: bonds (distance) C4'-P energy: -110.510 bonds (distance) P-C4' energy: -99.506 flat angles C4'-P-C4' energy: -117.470 flat angles P-C4'-P energy: -73.875 tors. eta vs tors. theta energy: -165.048 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: 3 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1758.473084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.473084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.473084 (E_RNA) where: Base-Base interactions energy: -1228.421 where: short stacking energy: -509.229 Base-Backbone interact. energy: -0.992 local terms energy: -529.059875 where: bonds (distance) C4'-P energy: -89.673 bonds (distance) P-C4' energy: -104.220 flat angles C4'-P-C4' energy: -108.367 flat angles P-C4'-P energy: -71.999 tors. eta vs tors. theta energy: -154.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1725.153315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.153315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.153315 (E_RNA) where: Base-Base interactions energy: -1197.315 where: short stacking energy: -490.819 Base-Backbone interact. energy: -0.302 local terms energy: -527.536448 where: bonds (distance) C4'-P energy: -87.088 bonds (distance) P-C4' energy: -94.208 flat angles C4'-P-C4' energy: -112.456 flat angles P-C4'-P energy: -75.583 tors. eta vs tors. theta energy: -158.201 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: 340 Temperature: 1.050000 Total energy: -1650.132137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.132137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.132137 (E_RNA) where: Base-Base interactions energy: -1143.143 where: short stacking energy: -472.171 Base-Backbone interact. energy: 1.828 local terms energy: -508.816825 where: bonds (distance) C4'-P energy: -88.620 bonds (distance) P-C4' energy: -92.058 flat angles C4'-P-C4' energy: -104.291 flat angles P-C4'-P energy: -68.514 tors. eta vs tors. theta energy: -155.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1490.171756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.171756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.171756 (E_RNA) where: Base-Base interactions energy: -1034.354 where: short stacking energy: -436.624 Base-Backbone interact. energy: 2.598 local terms energy: -458.415856 where: bonds (distance) C4'-P energy: -77.929 bonds (distance) P-C4' energy: -90.247 flat angles C4'-P-C4' energy: -94.471 flat angles P-C4'-P energy: -66.244 tors. eta vs tors. theta energy: -129.525 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: 6 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1521.744247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.744247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.744247 (E_RNA) where: Base-Base interactions energy: -1062.704 where: short stacking energy: -430.205 Base-Backbone interact. energy: 0.105 local terms energy: -459.145238 where: bonds (distance) C4'-P energy: -86.180 bonds (distance) P-C4' energy: -81.207 flat angles C4'-P-C4' energy: -96.872 flat angles P-C4'-P energy: -67.678 tors. eta vs tors. theta energy: -127.209 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: 5 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1251.254732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.254732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.254732 (E_RNA) where: Base-Base interactions energy: -838.849 where: short stacking energy: -355.195 Base-Backbone interact. energy: 0.009 local terms energy: -412.414998 where: bonds (distance) C4'-P energy: -81.653 bonds (distance) P-C4' energy: -75.292 flat angles C4'-P-C4' energy: -90.988 flat angles P-C4'-P energy: -73.251 tors. eta vs tors. theta energy: -91.230 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: 1 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1227.642704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.642704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.642704 (E_RNA) where: Base-Base interactions energy: -830.171 where: short stacking energy: -349.556 Base-Backbone interact. energy: -1.043 local terms energy: -396.428367 where: bonds (distance) C4'-P energy: -71.241 bonds (distance) P-C4' energy: -83.850 flat angles C4'-P-C4' energy: -85.414 flat angles P-C4'-P energy: -71.252 tors. eta vs tors. theta energy: -84.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -1093.568099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.568099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.568099 (E_RNA) where: Base-Base interactions energy: -705.151 where: short stacking energy: -304.415 Base-Backbone interact. energy: 0.740 local terms energy: -389.156912 where: bonds (distance) C4'-P energy: -74.751 bonds (distance) P-C4' energy: -95.014 flat angles C4'-P-C4' energy: -77.270 flat angles P-C4'-P energy: -68.477 tors. eta vs tors. theta energy: -73.645 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: 10, replica: 10 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -728.271337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.271337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.271337 (E_RNA) where: Base-Base interactions energy: -417.252 where: short stacking energy: -209.093 Base-Backbone interact. energy: 2.004 local terms energy: -313.023063 where: bonds (distance) C4'-P energy: -88.868 bonds (distance) P-C4' energy: -75.834 flat angles C4'-P-C4' energy: -69.050 flat angles P-C4'-P energy: -42.515 tors. eta vs tors. theta energy: -36.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1885.890473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.890473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.890473 (E_RNA) where: Base-Base interactions energy: -1333.882 where: short stacking energy: -538.715 Base-Backbone interact. energy: -1.887 local terms energy: -550.121494 where: bonds (distance) C4'-P energy: -92.306 bonds (distance) P-C4' energy: -96.931 flat angles C4'-P-C4' energy: -106.303 flat angles P-C4'-P energy: -85.658 tors. eta vs tors. theta energy: -168.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1741.810053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.810053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.810053 (E_RNA) where: Base-Base interactions energy: -1207.421 where: short stacking energy: -485.559 Base-Backbone interact. energy: -1.637 local terms energy: -532.751797 where: bonds (distance) C4'-P energy: -98.374 bonds (distance) P-C4' energy: -91.508 flat angles C4'-P-C4' energy: -113.622 flat angles P-C4'-P energy: -73.925 tors. eta vs tors. theta energy: -155.322 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: 3 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1758.456863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.456863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.456863 (E_RNA) where: Base-Base interactions energy: -1223.283 where: short stacking energy: -509.113 Base-Backbone interact. energy: -0.266 local terms energy: -534.907602 where: bonds (distance) C4'-P energy: -89.080 bonds (distance) P-C4' energy: -99.903 flat angles C4'-P-C4' energy: -117.639 flat angles P-C4'-P energy: -73.132 tors. eta vs tors. theta energy: -155.155 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: 7 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1620.291041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.291041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.291041 (E_RNA) where: Base-Base interactions energy: -1127.230 where: short stacking energy: -459.457 Base-Backbone interact. energy: 1.093 local terms energy: -494.153620 where: bonds (distance) C4'-P energy: -96.926 bonds (distance) P-C4' energy: -93.032 flat angles C4'-P-C4' energy: -103.844 flat angles P-C4'-P energy: -63.989 tors. eta vs tors. theta energy: -136.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1499.297308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.297308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.297308 (E_RNA) where: Base-Base interactions energy: -1025.886 where: short stacking energy: -435.747 Base-Backbone interact. energy: 0.985 local terms energy: -474.396636 where: bonds (distance) C4'-P energy: -80.716 bonds (distance) P-C4' energy: -94.890 flat angles C4'-P-C4' energy: -112.097 flat angles P-C4'-P energy: -61.363 tors. eta vs tors. theta energy: -125.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1512.574720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.574720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.574720 (E_RNA) where: Base-Base interactions energy: -1062.667 where: short stacking energy: -433.070 Base-Backbone interact. energy: -1.861 local terms energy: -448.046936 where: bonds (distance) C4'-P energy: -89.642 bonds (distance) P-C4' energy: -69.880 flat angles C4'-P-C4' energy: -94.861 flat angles P-C4'-P energy: -64.880 tors. eta vs tors. theta energy: -128.785 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: 5 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1217.002943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.002943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.002943 (E_RNA) where: Base-Base interactions energy: -831.484 where: short stacking energy: -353.662 Base-Backbone interact. energy: -0.003 local terms energy: -385.515678 where: bonds (distance) C4'-P energy: -77.605 bonds (distance) P-C4' energy: -66.475 flat angles C4'-P-C4' energy: -91.021 flat angles P-C4'-P energy: -65.165 tors. eta vs tors. theta energy: -85.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1243.327825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.327825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.327825 (E_RNA) where: Base-Base interactions energy: -853.772 where: short stacking energy: -343.973 Base-Backbone interact. energy: -0.852 local terms energy: -388.703697 where: bonds (distance) C4'-P energy: -68.522 bonds (distance) P-C4' energy: -82.240 flat angles C4'-P-C4' energy: -85.715 flat angles P-C4'-P energy: -53.567 tors. eta vs tors. theta energy: -98.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -1077.097963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.097963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.097963 (E_RNA) where: Base-Base interactions energy: -726.244 where: short stacking energy: -317.956 Base-Backbone interact. energy: -0.453 local terms energy: -350.401036 where: bonds (distance) C4'-P energy: -67.373 bonds (distance) P-C4' energy: -81.181 flat angles C4'-P-C4' energy: -83.162 flat angles P-C4'-P energy: -50.517 tors. eta vs tors. theta energy: -68.168 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: 10 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -756.344424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.344424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.344424 (E_RNA) where: Base-Base interactions energy: -455.261 where: short stacking energy: -217.338 Base-Backbone interact. energy: -1.988 local terms energy: -299.095077 where: bonds (distance) C4'-P energy: -78.741 bonds (distance) P-C4' energy: -79.218 flat angles C4'-P-C4' energy: -76.097 flat angles P-C4'-P energy: -33.253 tors. eta vs tors. theta energy: -31.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1896.078074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.078074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.078074 (E_RNA) where: Base-Base interactions energy: -1341.763 where: short stacking energy: -547.021 Base-Backbone interact. energy: -0.516 local terms energy: -553.798938 where: bonds (distance) C4'-P energy: -97.220 bonds (distance) P-C4' energy: -94.911 flat angles C4'-P-C4' energy: -112.573 flat angles P-C4'-P energy: -82.942 tors. eta vs tors. theta energy: -166.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1776.429980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.429980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.429980 (E_RNA) where: Base-Base interactions energy: -1230.362 where: short stacking energy: -481.305 Base-Backbone interact. energy: 0.040 local terms energy: -546.107995 where: bonds (distance) C4'-P energy: -96.966 bonds (distance) P-C4' energy: -100.067 flat angles C4'-P-C4' energy: -110.719 flat angles P-C4'-P energy: -79.595 tors. eta vs tors. theta energy: -158.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1744.877681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.877681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.877681 (E_RNA) where: Base-Base interactions energy: -1234.512 where: short stacking energy: -507.426 Base-Backbone interact. energy: -2.074 local terms energy: -508.291645 where: bonds (distance) C4'-P energy: -77.855 bonds (distance) P-C4' energy: -93.256 flat angles C4'-P-C4' energy: -111.817 flat angles P-C4'-P energy: -67.405 tors. eta vs tors. theta energy: -157.958 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: 7 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1643.881651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.881651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.881651 (E_RNA) where: Base-Base interactions energy: -1133.240 where: short stacking energy: -456.863 Base-Backbone interact. energy: -1.073 local terms energy: -509.568561 where: bonds (distance) C4'-P energy: -91.088 bonds (distance) P-C4' energy: -103.563 flat angles C4'-P-C4' energy: -106.921 flat angles P-C4'-P energy: -66.462 tors. eta vs tors. theta energy: -141.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1491.072622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.072622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.072622 (E_RNA) where: Base-Base interactions energy: -1032.605 where: short stacking energy: -419.855 Base-Backbone interact. energy: -0.057 local terms energy: -458.410365 where: bonds (distance) C4'-P energy: -88.953 bonds (distance) P-C4' energy: -93.489 flat angles C4'-P-C4' energy: -100.044 flat angles P-C4'-P energy: -63.326 tors. eta vs tors. theta energy: -112.598 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: 6 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1513.457622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.457622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.457622 (E_RNA) where: Base-Base interactions energy: -1055.296 where: short stacking energy: -434.000 Base-Backbone interact. energy: 0.986 local terms energy: -459.147626 where: bonds (distance) C4'-P energy: -82.996 bonds (distance) P-C4' energy: -70.607 flat angles C4'-P-C4' energy: -107.998 flat angles P-C4'-P energy: -65.332 tors. eta vs tors. theta energy: -132.214 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: 7, replica: 5 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1217.605294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.605294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.605294 (E_RNA) where: Base-Base interactions energy: -801.384 where: short stacking energy: -338.163 Base-Backbone interact. energy: -0.677 local terms energy: -415.543640 where: bonds (distance) C4'-P energy: -75.882 bonds (distance) P-C4' energy: -99.118 flat angles C4'-P-C4' energy: -91.595 flat angles P-C4'-P energy: -67.582 tors. eta vs tors. theta energy: -81.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1233.087607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.087607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.087607 (E_RNA) where: Base-Base interactions energy: -816.061 where: short stacking energy: -335.108 Base-Backbone interact. energy: -1.670 local terms energy: -415.356135 where: bonds (distance) C4'-P energy: -95.960 bonds (distance) P-C4' energy: -94.513 flat angles C4'-P-C4' energy: -86.611 flat angles P-C4'-P energy: -51.412 tors. eta vs tors. theta energy: -86.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -1091.937073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.937073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.937073 (E_RNA) where: Base-Base interactions energy: -724.027 where: short stacking energy: -280.367 Base-Backbone interact. energy: 3.910 local terms energy: -371.819786 where: bonds (distance) C4'-P energy: -83.106 bonds (distance) P-C4' energy: -86.063 flat angles C4'-P-C4' energy: -87.687 flat angles P-C4'-P energy: -49.266 tors. eta vs tors. theta energy: -65.698 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: 10 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -744.069269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.069269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.069269 (E_RNA) where: Base-Base interactions energy: -444.462 where: short stacking energy: -201.771 Base-Backbone interact. energy: -1.431 local terms energy: -298.175554 where: bonds (distance) C4'-P energy: -80.882 bonds (distance) P-C4' energy: -75.858 flat angles C4'-P-C4' energy: -64.171 flat angles P-C4'-P energy: -38.533 tors. eta vs tors. theta energy: -38.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1880.605891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.605891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.605891 (E_RNA) where: Base-Base interactions energy: -1339.533 where: short stacking energy: -541.164 Base-Backbone interact. energy: 0.438 local terms energy: -541.511047 where: bonds (distance) C4'-P energy: -98.502 bonds (distance) P-C4' energy: -97.520 flat angles C4'-P-C4' energy: -111.872 flat angles P-C4'-P energy: -74.248 tors. eta vs tors. theta energy: -159.369 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: 2, replica: 8 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1780.187685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.187685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.187685 (E_RNA) where: Base-Base interactions energy: -1223.057 where: short stacking energy: -500.221 Base-Backbone interact. energy: -1.854 local terms energy: -555.276865 where: bonds (distance) C4'-P energy: -101.135 bonds (distance) P-C4' energy: -104.097 flat angles C4'-P-C4' energy: -115.750 flat angles P-C4'-P energy: -78.476 tors. eta vs tors. theta energy: -155.820 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: 3 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1746.215165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.215165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.215165 (E_RNA) where: Base-Base interactions energy: -1212.080 where: short stacking energy: -495.107 Base-Backbone interact. energy: 2.186 local terms energy: -536.321378 where: bonds (distance) C4'-P energy: -86.420 bonds (distance) P-C4' energy: -109.763 flat angles C4'-P-C4' energy: -104.116 flat angles P-C4'-P energy: -77.318 tors. eta vs tors. theta energy: -158.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1636.226032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.226032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.226032 (E_RNA) where: Base-Base interactions energy: -1133.077 where: short stacking energy: -449.424 Base-Backbone interact. energy: -2.923 local terms energy: -500.225646 where: bonds (distance) C4'-P energy: -83.683 bonds (distance) P-C4' energy: -92.943 flat angles C4'-P-C4' energy: -109.996 flat angles P-C4'-P energy: -73.678 tors. eta vs tors. theta energy: -139.925 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: 4 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1501.907366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.907366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.907366 (E_RNA) where: Base-Base interactions energy: -1027.191 where: short stacking energy: -420.046 Base-Backbone interact. energy: -0.864 local terms energy: -473.852346 where: bonds (distance) C4'-P energy: -79.830 bonds (distance) P-C4' energy: -95.187 flat angles C4'-P-C4' energy: -99.574 flat angles P-C4'-P energy: -70.552 tors. eta vs tors. theta energy: -128.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1503.317518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.317518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.317518 (E_RNA) where: Base-Base interactions energy: -1065.323 where: short stacking energy: -433.824 Base-Backbone interact. energy: 1.409 local terms energy: -439.403164 where: bonds (distance) C4'-P energy: -83.115 bonds (distance) P-C4' energy: -89.353 flat angles C4'-P-C4' energy: -83.579 flat angles P-C4'-P energy: -56.362 tors. eta vs tors. theta energy: -126.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1248.736381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.736381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.736381 (E_RNA) where: Base-Base interactions energy: -856.426 where: short stacking energy: -350.382 Base-Backbone interact. energy: 0.074 local terms energy: -392.384393 where: bonds (distance) C4'-P energy: -81.233 bonds (distance) P-C4' energy: -77.215 flat angles C4'-P-C4' energy: -88.959 flat angles P-C4'-P energy: -68.534 tors. eta vs tors. theta energy: -76.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1260.531223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.531223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.531223 (E_RNA) where: Base-Base interactions energy: -866.809 where: short stacking energy: -378.122 Base-Backbone interact. energy: -1.360 local terms energy: -392.362193 where: bonds (distance) C4'-P energy: -73.820 bonds (distance) P-C4' energy: -70.221 flat angles C4'-P-C4' energy: -84.142 flat angles P-C4'-P energy: -56.663 tors. eta vs tors. theta energy: -107.516 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: 9, replica: 9 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -1095.695123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.695123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.695123 (E_RNA) where: Base-Base interactions energy: -719.011 where: short stacking energy: -308.542 Base-Backbone interact. energy: -0.645 local terms energy: -376.039334 where: bonds (distance) C4'-P energy: -75.231 bonds (distance) P-C4' energy: -90.896 flat angles C4'-P-C4' energy: -92.590 flat angles P-C4'-P energy: -36.513 tors. eta vs tors. theta energy: -80.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -748.187965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.187965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.187965 (E_RNA) where: Base-Base interactions energy: -461.951 where: short stacking energy: -233.329 Base-Backbone interact. energy: 0.057 local terms energy: -286.293696 where: bonds (distance) C4'-P energy: -81.567 bonds (distance) P-C4' energy: -57.201 flat angles C4'-P-C4' energy: -78.080 flat angles P-C4'-P energy: -31.575 tors. eta vs tors. theta energy: -37.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1894.829113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.829113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.829113 (E_RNA) where: Base-Base interactions energy: -1337.837 where: short stacking energy: -533.782 Base-Backbone interact. energy: 1.661 local terms energy: -558.652489 where: bonds (distance) C4'-P energy: -93.138 bonds (distance) P-C4' energy: -94.065 flat angles C4'-P-C4' energy: -123.181 flat angles P-C4'-P energy: -80.841 tors. eta vs tors. theta energy: -167.428 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: 8 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1763.581528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.581528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.581528 (E_RNA) where: Base-Base interactions energy: -1232.823 where: short stacking energy: -496.090 Base-Backbone interact. energy: 0.243 local terms energy: -531.000661 where: bonds (distance) C4'-P energy: -91.459 bonds (distance) P-C4' energy: -89.636 flat angles C4'-P-C4' energy: -109.210 flat angles P-C4'-P energy: -85.243 tors. eta vs tors. theta energy: -155.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1747.769498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.769498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.769498 (E_RNA) where: Base-Base interactions energy: -1231.149 where: short stacking energy: -499.645 Base-Backbone interact. energy: -0.299 local terms energy: -516.321836 where: bonds (distance) C4'-P energy: -88.465 bonds (distance) P-C4' energy: -101.191 flat angles C4'-P-C4' energy: -101.679 flat angles P-C4'-P energy: -77.833 tors. eta vs tors. theta energy: -147.154 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: 7 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1630.040189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.040189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.040189 (E_RNA) where: Base-Base interactions energy: -1129.092 where: short stacking energy: -472.458 Base-Backbone interact. energy: -0.390 local terms energy: -500.557616 where: bonds (distance) C4'-P energy: -78.737 bonds (distance) P-C4' energy: -93.726 flat angles C4'-P-C4' energy: -107.792 flat angles P-C4'-P energy: -62.927 tors. eta vs tors. theta energy: -157.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1565.110191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.110191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.110191 (E_RNA) where: Base-Base interactions energy: -1088.975 where: short stacking energy: -441.943 Base-Backbone interact. energy: -1.361 local terms energy: -474.773932 where: bonds (distance) C4'-P energy: -81.880 bonds (distance) P-C4' energy: -92.771 flat angles C4'-P-C4' energy: -104.409 flat angles P-C4'-P energy: -62.852 tors. eta vs tors. theta energy: -132.861 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: 4 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1477.629620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.629620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.629620 (E_RNA) where: Base-Base interactions energy: -1038.768 where: short stacking energy: -429.276 Base-Backbone interact. energy: -1.586 local terms energy: -437.275651 where: bonds (distance) C4'-P energy: -71.353 bonds (distance) P-C4' energy: -80.208 flat angles C4'-P-C4' energy: -95.823 flat angles P-C4'-P energy: -67.884 tors. eta vs tors. theta energy: -122.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1290.461079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.461079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.461079 (E_RNA) where: Base-Base interactions energy: -848.765 where: short stacking energy: -347.534 Base-Backbone interact. energy: -0.784 local terms energy: -440.912097 where: bonds (distance) C4'-P energy: -93.366 bonds (distance) P-C4' energy: -92.719 flat angles C4'-P-C4' energy: -96.285 flat angles P-C4'-P energy: -59.315 tors. eta vs tors. theta energy: -99.227 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: 1 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1242.135353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.135353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.135353 (E_RNA) where: Base-Base interactions energy: -830.257 where: short stacking energy: -356.481 Base-Backbone interact. energy: -1.249 local terms energy: -410.629581 where: bonds (distance) C4'-P energy: -88.369 bonds (distance) P-C4' energy: -85.201 flat angles C4'-P-C4' energy: -94.448 flat angles P-C4'-P energy: -49.551 tors. eta vs tors. theta energy: -93.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -1088.397095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.397095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.397095 (E_RNA) where: Base-Base interactions energy: -730.470 where: short stacking energy: -299.449 Base-Backbone interact. energy: -0.562 local terms energy: -357.365465 where: bonds (distance) C4'-P energy: -76.693 bonds (distance) P-C4' energy: -80.053 flat angles C4'-P-C4' energy: -82.756 flat angles P-C4'-P energy: -49.982 tors. eta vs tors. theta energy: -67.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -738.791451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.791451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.791451 (E_RNA) where: Base-Base interactions energy: -439.388 where: short stacking energy: -211.702 Base-Backbone interact. energy: 1.853 local terms energy: -301.256483 where: bonds (distance) C4'-P energy: -72.591 bonds (distance) P-C4' energy: -75.266 flat angles C4'-P-C4' energy: -65.349 flat angles P-C4'-P energy: -45.613 tors. eta vs tors. theta energy: -42.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1911.388585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.388585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.388585 (E_RNA) where: Base-Base interactions energy: -1359.325 where: short stacking energy: -542.324 Base-Backbone interact. energy: -1.100 local terms energy: -550.964122 where: bonds (distance) C4'-P energy: -102.967 bonds (distance) P-C4' energy: -95.578 flat angles C4'-P-C4' energy: -107.568 flat angles P-C4'-P energy: -79.387 tors. eta vs tors. theta energy: -165.465 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: 8 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1743.674098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.674098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.674098 (E_RNA) where: Base-Base interactions energy: -1222.528 where: short stacking energy: -492.359 Base-Backbone interact. energy: -2.221 local terms energy: -518.925102 where: bonds (distance) C4'-P energy: -100.508 bonds (distance) P-C4' energy: -85.031 flat angles C4'-P-C4' energy: -110.078 flat angles P-C4'-P energy: -82.688 tors. eta vs tors. theta energy: -140.620 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: 3 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1755.499991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.499991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.499991 (E_RNA) where: Base-Base interactions energy: -1221.117 where: short stacking energy: -484.061 Base-Backbone interact. energy: -0.804 local terms energy: -533.578436 where: bonds (distance) C4'-P energy: -96.791 bonds (distance) P-C4' energy: -86.283 flat angles C4'-P-C4' energy: -113.272 flat angles P-C4'-P energy: -85.471 tors. eta vs tors. theta energy: -151.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1665.726445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.726445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.726445 (E_RNA) where: Base-Base interactions energy: -1151.535 where: short stacking energy: -492.345 Base-Backbone interact. energy: 1.536 local terms energy: -515.727128 where: bonds (distance) C4'-P energy: -86.397 bonds (distance) P-C4' energy: -94.769 flat angles C4'-P-C4' energy: -111.871 flat angles P-C4'-P energy: -61.601 tors. eta vs tors. theta energy: -161.089 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: 6 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1584.076413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.076413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.076413 (E_RNA) where: Base-Base interactions energy: -1109.902 where: short stacking energy: -445.803 Base-Backbone interact. energy: 0.385 local terms energy: -474.559616 where: bonds (distance) C4'-P energy: -75.449 bonds (distance) P-C4' energy: -72.532 flat angles C4'-P-C4' energy: -107.632 flat angles P-C4'-P energy: -78.053 tors. eta vs tors. theta energy: -140.894 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: 345 Temperature: 1.150000 Total energy: -1493.636303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.636303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.636303 (E_RNA) where: Base-Base interactions energy: -1012.715 where: short stacking energy: -421.899 Base-Backbone interact. energy: -1.535 local terms energy: -479.386980 where: bonds (distance) C4'-P energy: -80.735 bonds (distance) P-C4' energy: -88.302 flat angles C4'-P-C4' energy: -106.342 flat angles P-C4'-P energy: -63.340 tors. eta vs tors. theta energy: -140.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1268.279582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.279582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.279582 (E_RNA) where: Base-Base interactions energy: -835.975 where: short stacking energy: -352.192 Base-Backbone interact. energy: -0.538 local terms energy: -431.766313 where: bonds (distance) C4'-P energy: -82.028 bonds (distance) P-C4' energy: -93.990 flat angles C4'-P-C4' energy: -86.181 flat angles P-C4'-P energy: -67.809 tors. eta vs tors. theta energy: -101.758 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: 1 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1286.355748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.355748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.355748 (E_RNA) where: Base-Base interactions energy: -856.940 where: short stacking energy: -368.201 Base-Backbone interact. energy: -2.561 local terms energy: -426.855040 where: bonds (distance) C4'-P energy: -81.303 bonds (distance) P-C4' energy: -85.495 flat angles C4'-P-C4' energy: -91.910 flat angles P-C4'-P energy: -62.357 tors. eta vs tors. theta energy: -105.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -1095.245094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.245094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.245094 (E_RNA) where: Base-Base interactions energy: -742.690 where: short stacking energy: -307.984 Base-Backbone interact. energy: -1.512 local terms energy: -351.043117 where: bonds (distance) C4'-P energy: -78.740 bonds (distance) P-C4' energy: -72.703 flat angles C4'-P-C4' energy: -77.981 flat angles P-C4'-P energy: -53.783 tors. eta vs tors. theta energy: -67.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -729.195128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.195128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.195128 (E_RNA) where: Base-Base interactions energy: -434.376 where: short stacking energy: -193.191 Base-Backbone interact. energy: 1.643 local terms energy: -296.461999 where: bonds (distance) C4'-P energy: -81.785 bonds (distance) P-C4' energy: -70.861 flat angles C4'-P-C4' energy: -83.489 flat angles P-C4'-P energy: -55.700 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: 1, replica: 2 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1936.481741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.481741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.481741 (E_RNA) where: Base-Base interactions energy: -1371.923 where: short stacking energy: -553.341 Base-Backbone interact. energy: -0.593 local terms energy: -563.965657 where: bonds (distance) C4'-P energy: -97.767 bonds (distance) P-C4' energy: -91.722 flat angles C4'-P-C4' energy: -122.027 flat angles P-C4'-P energy: -85.236 tors. eta vs tors. theta energy: -167.214 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: 8 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1750.969359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.969359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.969359 (E_RNA) where: Base-Base interactions energy: -1227.230 where: short stacking energy: -492.938 Base-Backbone interact. energy: -1.292 local terms energy: -522.447688 where: bonds (distance) C4'-P energy: -101.073 bonds (distance) P-C4' energy: -93.879 flat angles C4'-P-C4' energy: -108.500 flat angles P-C4'-P energy: -66.942 tors. eta vs tors. theta energy: -152.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1753.847915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.847915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.847915 (E_RNA) where: Base-Base interactions energy: -1244.078 where: short stacking energy: -498.731 Base-Backbone interact. energy: 1.203 local terms energy: -510.972272 where: bonds (distance) C4'-P energy: -84.674 bonds (distance) P-C4' energy: -101.762 flat angles C4'-P-C4' energy: -109.479 flat angles P-C4'-P energy: -64.977 tors. eta vs tors. theta energy: -150.080 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: 7 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1653.589878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.589878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.589878 (E_RNA) where: Base-Base interactions energy: -1126.587 where: short stacking energy: -463.907 Base-Backbone interact. energy: -1.712 local terms energy: -525.290140 where: bonds (distance) C4'-P energy: -103.559 bonds (distance) P-C4' energy: -94.246 flat angles C4'-P-C4' energy: -105.173 flat angles P-C4'-P energy: -68.403 tors. eta vs tors. theta energy: -153.909 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: 6 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1576.274986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.274986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.274986 (E_RNA) where: Base-Base interactions energy: -1118.856 where: short stacking energy: -453.355 Base-Backbone interact. energy: -0.359 local terms energy: -457.060047 where: bonds (distance) C4'-P energy: -85.400 bonds (distance) P-C4' energy: -73.214 flat angles C4'-P-C4' energy: -103.764 flat angles P-C4'-P energy: -62.818 tors. eta vs tors. theta energy: -131.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1462.173943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.173943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.173943 (E_RNA) where: Base-Base interactions energy: -1022.001 where: short stacking energy: -429.110 Base-Backbone interact. energy: 3.013 local terms energy: -443.185567 where: bonds (distance) C4'-P energy: -75.663 bonds (distance) P-C4' energy: -70.250 flat angles C4'-P-C4' energy: -104.486 flat angles P-C4'-P energy: -58.681 tors. eta vs tors. theta energy: -134.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1353.774446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.774446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.774446 (E_RNA) where: Base-Base interactions energy: -900.684 where: short stacking energy: -390.112 Base-Backbone interact. energy: -0.119 local terms energy: -452.970540 where: bonds (distance) C4'-P energy: -78.099 bonds (distance) P-C4' energy: -87.619 flat angles C4'-P-C4' energy: -96.774 flat angles P-C4'-P energy: -75.691 tors. eta vs tors. theta energy: -114.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1220.111186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.111186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.111186 (E_RNA) where: Base-Base interactions energy: -824.037 where: short stacking energy: -356.968 Base-Backbone interact. energy: -1.442 local terms energy: -394.631782 where: bonds (distance) C4'-P energy: -72.445 bonds (distance) P-C4' energy: -86.356 flat angles C4'-P-C4' energy: -88.844 flat angles P-C4'-P energy: -55.542 tors. eta vs tors. theta energy: -91.445 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: 9 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -1066.913659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.913659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.913659 (E_RNA) where: Base-Base interactions energy: -707.072 where: short stacking energy: -306.928 Base-Backbone interact. energy: -0.080 local terms energy: -359.761502 where: bonds (distance) C4'-P energy: -81.949 bonds (distance) P-C4' energy: -82.799 flat angles C4'-P-C4' energy: -77.634 flat angles P-C4'-P energy: -47.494 tors. eta vs tors. theta energy: -69.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -739.561743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.561743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.561743 (E_RNA) where: Base-Base interactions energy: -431.649 where: short stacking energy: -218.933 Base-Backbone interact. energy: -0.704 local terms energy: -307.208296 where: bonds (distance) C4'-P energy: -71.630 bonds (distance) P-C4' energy: -78.314 flat angles C4'-P-C4' energy: -74.037 flat angles P-C4'-P energy: -45.753 tors. eta vs tors. theta energy: -37.474 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: 2 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1907.747540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.747540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.747540 (E_RNA) where: Base-Base interactions energy: -1357.429 where: short stacking energy: -540.934 Base-Backbone interact. energy: -0.369 local terms energy: -549.949502 where: bonds (distance) C4'-P energy: -96.978 bonds (distance) P-C4' energy: -98.392 flat angles C4'-P-C4' energy: -107.547 flat angles P-C4'-P energy: -80.175 tors. eta vs tors. theta energy: -166.858 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: 3 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1786.894013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.894013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.894013 (E_RNA) where: Base-Base interactions energy: -1257.410 where: short stacking energy: -512.019 Base-Backbone interact. energy: -0.111 local terms energy: -529.372533 where: bonds (distance) C4'-P energy: -99.006 bonds (distance) P-C4' energy: -83.702 flat angles C4'-P-C4' energy: -102.718 flat angles P-C4'-P energy: -85.394 tors. eta vs tors. theta energy: -158.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1737.282340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.282340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.282340 (E_RNA) where: Base-Base interactions energy: -1221.815 where: short stacking energy: -470.403 Base-Backbone interact. energy: -0.998 local terms energy: -514.468883 where: bonds (distance) C4'-P energy: -98.982 bonds (distance) P-C4' energy: -85.051 flat angles C4'-P-C4' energy: -114.580 flat angles P-C4'-P energy: -78.601 tors. eta vs tors. theta energy: -137.254 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: 347 Temperature: 1.050000 Total energy: -1681.914622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.914622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.914622 (E_RNA) where: Base-Base interactions energy: -1182.327 where: short stacking energy: -489.876 Base-Backbone interact. energy: -2.128 local terms energy: -497.459690 where: bonds (distance) C4'-P energy: -78.781 bonds (distance) P-C4' energy: -88.966 flat angles C4'-P-C4' energy: -105.489 flat angles P-C4'-P energy: -64.358 tors. eta vs tors. theta energy: -159.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1608.942425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.942425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.942425 (E_RNA) where: Base-Base interactions energy: -1141.725 where: short stacking energy: -456.747 Base-Backbone interact. energy: -2.165 local terms energy: -465.052122 where: bonds (distance) C4'-P energy: -85.687 bonds (distance) P-C4' energy: -71.822 flat angles C4'-P-C4' energy: -108.624 flat angles P-C4'-P energy: -61.010 tors. eta vs tors. theta energy: -137.908 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: 4 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1478.556393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.556393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.556393 (E_RNA) where: Base-Base interactions energy: -1021.484 where: short stacking energy: -440.805 Base-Backbone interact. energy: 1.196 local terms energy: -458.268662 where: bonds (distance) C4'-P energy: -82.868 bonds (distance) P-C4' energy: -81.285 flat angles C4'-P-C4' energy: -101.832 flat angles P-C4'-P energy: -67.392 tors. eta vs tors. theta energy: -124.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1311.771968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.771968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.771968 (E_RNA) where: Base-Base interactions energy: -898.647 where: short stacking energy: -370.834 Base-Backbone interact. energy: -0.254 local terms energy: -412.871251 where: bonds (distance) C4'-P energy: -80.627 bonds (distance) P-C4' energy: -82.542 flat angles C4'-P-C4' energy: -98.609 flat angles P-C4'-P energy: -62.592 tors. eta vs tors. theta energy: -88.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1221.450927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.450927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.450927 (E_RNA) where: Base-Base interactions energy: -838.137 where: short stacking energy: -342.503 Base-Backbone interact. energy: 4.261 local terms energy: -387.575017 where: bonds (distance) C4'-P energy: -82.027 bonds (distance) P-C4' energy: -82.155 flat angles C4'-P-C4' energy: -87.815 flat angles P-C4'-P energy: -51.549 tors. eta vs tors. theta energy: -84.028 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: 9 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -1067.806985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.806985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.806985 (E_RNA) where: Base-Base interactions energy: -715.982 where: short stacking energy: -306.335 Base-Backbone interact. energy: -0.821 local terms energy: -351.004692 where: bonds (distance) C4'-P energy: -79.303 bonds (distance) P-C4' energy: -75.281 flat angles C4'-P-C4' energy: -75.316 flat angles P-C4'-P energy: -48.924 tors. eta vs tors. theta energy: -72.182 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: 10 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -761.699989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.699989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.699989 (E_RNA) where: Base-Base interactions energy: -470.388 where: short stacking energy: -219.368 Base-Backbone interact. energy: -0.594 local terms energy: -290.717441 where: bonds (distance) C4'-P energy: -79.039 bonds (distance) P-C4' energy: -76.009 flat angles C4'-P-C4' energy: -64.922 flat angles P-C4'-P energy: -34.238 tors. eta vs tors. theta energy: -36.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1875.266415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.266415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.266415 (E_RNA) where: Base-Base interactions energy: -1323.237 where: short stacking energy: -532.210 Base-Backbone interact. energy: -0.181 local terms energy: -551.848620 where: bonds (distance) C4'-P energy: -87.610 bonds (distance) P-C4' energy: -101.565 flat angles C4'-P-C4' energy: -116.310 flat angles P-C4'-P energy: -83.317 tors. eta vs tors. theta energy: -163.046 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: 3 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1769.675682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.675682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.675682 (E_RNA) where: Base-Base interactions energy: -1236.470 where: short stacking energy: -513.098 Base-Backbone interact. energy: 0.946 local terms energy: -534.151324 where: bonds (distance) C4'-P energy: -82.303 bonds (distance) P-C4' energy: -98.322 flat angles C4'-P-C4' energy: -112.136 flat angles P-C4'-P energy: -88.565 tors. eta vs tors. theta energy: -152.826 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: 3, replica: 7 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1698.296120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.296120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.296120 (E_RNA) where: Base-Base interactions energy: -1182.976 where: short stacking energy: -494.724 Base-Backbone interact. energy: 0.528 local terms energy: -515.848080 where: bonds (distance) C4'-P energy: -86.434 bonds (distance) P-C4' energy: -97.774 flat angles C4'-P-C4' energy: -106.235 flat angles P-C4'-P energy: -65.987 tors. eta vs tors. theta energy: -159.418 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: 8 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1696.962924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.962924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.962924 (E_RNA) where: Base-Base interactions energy: -1196.784 where: short stacking energy: -499.187 Base-Backbone interact. energy: -0.479 local terms energy: -499.699726 where: bonds (distance) C4'-P energy: -87.650 bonds (distance) P-C4' energy: -84.908 flat angles C4'-P-C4' energy: -108.458 flat angles P-C4'-P energy: -62.837 tors. eta vs tors. theta energy: -155.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1595.662066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.662066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.662066 (E_RNA) where: Base-Base interactions energy: -1110.596 where: short stacking energy: -447.020 Base-Backbone interact. energy: -2.263 local terms energy: -482.802538 where: bonds (distance) C4'-P energy: -88.226 bonds (distance) P-C4' energy: -87.493 flat angles C4'-P-C4' energy: -109.468 flat angles P-C4'-P energy: -64.738 tors. eta vs tors. theta energy: -132.878 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: 4 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1468.881922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.881922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.881922 (E_RNA) where: Base-Base interactions energy: -1018.615 where: short stacking energy: -423.378 Base-Backbone interact. energy: 2.147 local terms energy: -452.413521 where: bonds (distance) C4'-P energy: -75.901 bonds (distance) P-C4' energy: -80.141 flat angles C4'-P-C4' energy: -104.570 flat angles P-C4'-P energy: -69.690 tors. eta vs tors. theta energy: -122.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1236.595011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.595011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.595011 (E_RNA) where: Base-Base interactions energy: -837.677 where: short stacking energy: -366.883 Base-Backbone interact. energy: -0.885 local terms energy: -398.032721 where: bonds (distance) C4'-P energy: -73.374 bonds (distance) P-C4' energy: -68.711 flat angles C4'-P-C4' energy: -95.405 flat angles P-C4'-P energy: -63.842 tors. eta vs tors. theta energy: -96.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1288.380876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.380876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.380876 (E_RNA) where: Base-Base interactions energy: -855.871 where: short stacking energy: -356.124 Base-Backbone interact. energy: 0.001 local terms energy: -432.510384 where: bonds (distance) C4'-P energy: -75.696 bonds (distance) P-C4' energy: -94.483 flat angles C4'-P-C4' energy: -106.754 flat angles P-C4'-P energy: -55.316 tors. eta vs tors. theta energy: -100.261 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: 348 Temperature: 1.300000 Total energy: -1077.043399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.043399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.043399 (E_RNA) where: Base-Base interactions energy: -725.819 where: short stacking energy: -292.529 Base-Backbone interact. energy: -3.499 local terms energy: -347.725746 where: bonds (distance) C4'-P energy: -76.323 bonds (distance) P-C4' energy: -79.359 flat angles C4'-P-C4' energy: -76.741 flat angles P-C4'-P energy: -38.983 tors. eta vs tors. theta energy: -76.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -777.852323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.852323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.852323 (E_RNA) where: Base-Base interactions energy: -464.097 where: short stacking energy: -225.258 Base-Backbone interact. energy: 0.561 local terms energy: -314.316881 where: bonds (distance) C4'-P energy: -67.948 bonds (distance) P-C4' energy: -94.315 flat angles C4'-P-C4' energy: -57.481 flat angles P-C4'-P energy: -48.882 tors. eta vs tors. theta energy: -45.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1903.013811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.013811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.013811 (E_RNA) where: Base-Base interactions energy: -1351.800 where: short stacking energy: -536.648 Base-Backbone interact. energy: 3.725 local terms energy: -554.938965 where: bonds (distance) C4'-P energy: -110.025 bonds (distance) P-C4' energy: -94.286 flat angles C4'-P-C4' energy: -107.414 flat angles P-C4'-P energy: -78.284 tors. eta vs tors. theta energy: -164.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1789.544222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.544222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.544222 (E_RNA) where: Base-Base interactions energy: -1250.111 where: short stacking energy: -492.179 Base-Backbone interact. energy: -2.049 local terms energy: -537.383466 where: bonds (distance) C4'-P energy: -89.989 bonds (distance) P-C4' energy: -91.355 flat angles C4'-P-C4' energy: -111.514 flat angles P-C4'-P energy: -89.232 tors. eta vs tors. theta energy: -155.293 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: 7 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1698.115065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.115065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.115065 (E_RNA) where: Base-Base interactions energy: -1180.635 where: short stacking energy: -489.630 Base-Backbone interact. energy: -2.228 local terms energy: -515.252657 where: bonds (distance) C4'-P energy: -92.807 bonds (distance) P-C4' energy: -87.433 flat angles C4'-P-C4' energy: -101.014 flat angles P-C4'-P energy: -77.744 tors. eta vs tors. theta energy: -156.255 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: 4, replica: 8 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1712.022621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.022621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.022621 (E_RNA) where: Base-Base interactions energy: -1192.728 where: short stacking energy: -497.185 Base-Backbone interact. energy: -0.083 local terms energy: -519.210921 where: bonds (distance) C4'-P energy: -86.182 bonds (distance) P-C4' energy: -98.287 flat angles C4'-P-C4' energy: -106.956 flat angles P-C4'-P energy: -75.397 tors. eta vs tors. theta energy: -152.388 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: 349 Temperature: 1.100000 Total energy: -1584.086967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.086967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.086967 (E_RNA) where: Base-Base interactions energy: -1128.509 where: short stacking energy: -465.474 Base-Backbone interact. energy: -1.125 local terms energy: -454.452774 where: bonds (distance) C4'-P energy: -65.398 bonds (distance) P-C4' energy: -80.834 flat angles C4'-P-C4' energy: -98.838 flat angles P-C4'-P energy: -78.186 tors. eta vs tors. theta energy: -131.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1478.704623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.704623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.704623 (E_RNA) where: Base-Base interactions energy: -1034.621 where: short stacking energy: -427.874 Base-Backbone interact. energy: -2.240 local terms energy: -441.843747 where: bonds (distance) C4'-P energy: -71.113 bonds (distance) P-C4' energy: -87.206 flat angles C4'-P-C4' energy: -95.482 flat angles P-C4'-P energy: -68.779 tors. eta vs tors. theta energy: -119.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1234.427650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.427650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.427650 (E_RNA) where: Base-Base interactions energy: -835.312 where: short stacking energy: -349.431 Base-Backbone interact. energy: 0.264 local terms energy: -399.379710 where: bonds (distance) C4'-P energy: -80.962 bonds (distance) P-C4' energy: -89.043 flat angles C4'-P-C4' energy: -88.183 flat angles P-C4'-P energy: -57.589 tors. eta vs tors. theta energy: -83.602 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: 1 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1275.646858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.646858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.646858 (E_RNA) where: Base-Base interactions energy: -862.073 where: short stacking energy: -355.733 Base-Backbone interact. energy: -2.300 local terms energy: -411.273226 where: bonds (distance) C4'-P energy: -81.700 bonds (distance) P-C4' energy: -86.799 flat angles C4'-P-C4' energy: -90.212 flat angles P-C4'-P energy: -63.227 tors. eta vs tors. theta energy: -89.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -1071.167195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.167195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.167195 (E_RNA) where: Base-Base interactions energy: -715.424 where: short stacking energy: -290.069 Base-Backbone interact. energy: -0.846 local terms energy: -354.896534 where: bonds (distance) C4'-P energy: -79.490 bonds (distance) P-C4' energy: -71.551 flat angles C4'-P-C4' energy: -87.563 flat angles P-C4'-P energy: -58.765 tors. eta vs tors. theta energy: -57.527 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: 10 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -774.616060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.616060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.616060 (E_RNA) where: Base-Base interactions energy: -452.880 where: short stacking energy: -205.181 Base-Backbone interact. energy: -1.557 local terms energy: -320.179478 where: bonds (distance) C4'-P energy: -85.029 bonds (distance) P-C4' energy: -80.246 flat angles C4'-P-C4' energy: -71.600 flat angles P-C4'-P energy: -50.348 tors. eta vs tors. theta energy: -32.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1882.806338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.806338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.806338 (E_RNA) where: Base-Base interactions energy: -1341.400 where: short stacking energy: -522.701 Base-Backbone interact. energy: -1.365 local terms energy: -540.041775 where: bonds (distance) C4'-P energy: -90.199 bonds (distance) P-C4' energy: -92.714 flat angles C4'-P-C4' energy: -115.928 flat angles P-C4'-P energy: -77.925 tors. eta vs tors. theta energy: -163.275 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: 3 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1783.795706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.795706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.795706 (E_RNA) where: Base-Base interactions energy: -1253.130 where: short stacking energy: -509.811 Base-Backbone interact. energy: -0.880 local terms energy: -529.785652 where: bonds (distance) C4'-P energy: -91.580 bonds (distance) P-C4' energy: -91.267 flat angles C4'-P-C4' energy: -108.077 flat angles P-C4'-P energy: -81.785 tors. eta vs tors. theta energy: -157.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1738.839439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.839439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.839439 (E_RNA) where: Base-Base interactions energy: -1219.193 where: short stacking energy: -487.143 Base-Backbone interact. energy: -0.457 local terms energy: -519.189256 where: bonds (distance) C4'-P energy: -89.239 bonds (distance) P-C4' energy: -91.054 flat angles C4'-P-C4' energy: -115.930 flat angles P-C4'-P energy: -72.389 tors. eta vs tors. theta energy: -150.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1662.988883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.988883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.988883 (E_RNA) where: Base-Base interactions energy: -1150.532 where: short stacking energy: -492.749 Base-Backbone interact. energy: -2.264 local terms energy: -510.193054 where: bonds (distance) C4'-P energy: -89.428 bonds (distance) P-C4' energy: -85.255 flat angles C4'-P-C4' energy: -104.100 flat angles P-C4'-P energy: -76.720 tors. eta vs tors. theta energy: -154.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1613.686394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.686394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.686394 (E_RNA) where: Base-Base interactions energy: -1114.375 where: short stacking energy: -458.170 Base-Backbone interact. energy: -0.676 local terms energy: -498.634999 where: bonds (distance) C4'-P energy: -87.420 bonds (distance) P-C4' energy: -77.932 flat angles C4'-P-C4' energy: -118.153 flat angles P-C4'-P energy: -74.925 tors. eta vs tors. theta energy: -140.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1463.305715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.305715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.305715 (E_RNA) where: Base-Base interactions energy: -991.862 where: short stacking energy: -407.234 Base-Backbone interact. energy: 1.289 local terms energy: -472.732762 where: bonds (distance) C4'-P energy: -89.599 bonds (distance) P-C4' energy: -83.316 flat angles C4'-P-C4' energy: -92.331 flat angles P-C4'-P energy: -78.725 tors. eta vs tors. theta energy: -128.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1292.823180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.823180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.823180 (E_RNA) where: Base-Base interactions energy: -904.032 where: short stacking energy: -368.642 Base-Backbone interact. energy: -0.732 local terms energy: -388.058581 where: bonds (distance) C4'-P energy: -62.502 bonds (distance) P-C4' energy: -78.487 flat angles C4'-P-C4' energy: -93.867 flat angles P-C4'-P energy: -54.097 tors. eta vs tors. theta energy: -99.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1299.859696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.859696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.859696 (E_RNA) where: Base-Base interactions energy: -898.778 where: short stacking energy: -370.845 Base-Backbone interact. energy: -2.823 local terms energy: -398.258241 where: bonds (distance) C4'-P energy: -84.403 bonds (distance) P-C4' energy: -82.556 flat angles C4'-P-C4' energy: -92.668 flat angles P-C4'-P energy: -40.087 tors. eta vs tors. theta energy: -98.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -1042.493029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.493029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.493029 (E_RNA) where: Base-Base interactions energy: -699.415 where: short stacking energy: -303.413 Base-Backbone interact. energy: 3.197 local terms energy: -346.275343 where: bonds (distance) C4'-P energy: -81.893 bonds (distance) P-C4' energy: -55.781 flat angles C4'-P-C4' energy: -75.600 flat angles P-C4'-P energy: -59.262 tors. eta vs tors. theta energy: -73.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -769.864025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.864025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.864025 (E_RNA) where: Base-Base interactions energy: -465.815 where: short stacking energy: -221.770 Base-Backbone interact. energy: 0.272 local terms energy: -304.320784 where: bonds (distance) C4'-P energy: -90.560 bonds (distance) P-C4' energy: -79.091 flat angles C4'-P-C4' energy: -67.645 flat angles P-C4'-P energy: -40.224 tors. eta vs tors. theta energy: -26.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1881.582719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.582719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.582719 (E_RNA) where: Base-Base interactions energy: -1349.613 where: short stacking energy: -532.725 Base-Backbone interact. energy: 1.402 local terms energy: -533.371458 where: bonds (distance) C4'-P energy: -93.232 bonds (distance) P-C4' energy: -91.153 flat angles C4'-P-C4' energy: -108.450 flat angles P-C4'-P energy: -79.916 tors. eta vs tors. theta energy: -160.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1811.779815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.779815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.779815 (E_RNA) where: Base-Base interactions energy: -1282.619 where: short stacking energy: -529.020 Base-Backbone interact. energy: -0.084 local terms energy: -529.077363 where: bonds (distance) C4'-P energy: -95.206 bonds (distance) P-C4' energy: -88.379 flat angles C4'-P-C4' energy: -106.663 flat angles P-C4'-P energy: -79.484 tors. eta vs tors. theta energy: -159.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1742.823062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.823062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.823062 (E_RNA) where: Base-Base interactions energy: -1226.181 where: short stacking energy: -489.188 Base-Backbone interact. energy: -2.696 local terms energy: -513.945411 where: bonds (distance) C4'-P energy: -91.311 bonds (distance) P-C4' energy: -87.578 flat angles C4'-P-C4' energy: -99.189 flat angles P-C4'-P energy: -70.147 tors. eta vs tors. theta energy: -165.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1662.508762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.508762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.508762 (E_RNA) where: Base-Base interactions energy: -1149.391 where: short stacking energy: -479.297 Base-Backbone interact. energy: -2.928 local terms energy: -510.189506 where: bonds (distance) C4'-P energy: -84.809 bonds (distance) P-C4' energy: -90.338 flat angles C4'-P-C4' energy: -113.388 flat angles P-C4'-P energy: -69.045 tors. eta vs tors. theta energy: -152.610 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: 6 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1562.334012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.334012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.334012 (E_RNA) where: Base-Base interactions energy: -1098.259 where: short stacking energy: -441.568 Base-Backbone interact. energy: -1.118 local terms energy: -462.956902 where: bonds (distance) C4'-P energy: -81.984 bonds (distance) P-C4' energy: -82.760 flat angles C4'-P-C4' energy: -101.028 flat angles P-C4'-P energy: -71.945 tors. eta vs tors. theta energy: -125.240 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: 6, replica: 4 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1512.227888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.227888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.227888 (E_RNA) where: Base-Base interactions energy: -1040.712 where: short stacking energy: -427.078 Base-Backbone interact. energy: -1.869 local terms energy: -469.647059 where: bonds (distance) C4'-P energy: -87.928 bonds (distance) P-C4' energy: -89.656 flat angles C4'-P-C4' energy: -99.919 flat angles P-C4'-P energy: -65.788 tors. eta vs tors. theta energy: -126.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1286.701958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.701958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.701958 (E_RNA) where: Base-Base interactions energy: -866.346 where: short stacking energy: -353.299 Base-Backbone interact. energy: 1.818 local terms energy: -422.173718 where: bonds (distance) C4'-P energy: -76.417 bonds (distance) P-C4' energy: -85.767 flat angles C4'-P-C4' energy: -104.998 flat angles P-C4'-P energy: -55.851 tors. eta vs tors. theta energy: -99.140 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: 5 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1256.951740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.951740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.951740 (E_RNA) where: Base-Base interactions energy: -856.991 where: short stacking energy: -368.802 Base-Backbone interact. energy: 0.317 local terms energy: -400.277207 where: bonds (distance) C4'-P energy: -67.962 bonds (distance) P-C4' energy: -82.182 flat angles C4'-P-C4' energy: -91.619 flat angles P-C4'-P energy: -53.702 tors. eta vs tors. theta energy: -104.813 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: 351 Temperature: 1.300000 Total energy: -1049.000486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.000486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.000486 (E_RNA) where: Base-Base interactions energy: -669.150 where: short stacking energy: -276.567 Base-Backbone interact. energy: -0.579 local terms energy: -379.271745 where: bonds (distance) C4'-P energy: -85.658 bonds (distance) P-C4' energy: -86.149 flat angles C4'-P-C4' energy: -85.714 flat angles P-C4'-P energy: -62.005 tors. eta vs tors. theta energy: -59.745 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: 10 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -743.075123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.075123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.075123 (E_RNA) where: Base-Base interactions energy: -443.150 where: short stacking energy: -200.013 Base-Backbone interact. energy: 0.392 local terms energy: -300.316707 where: bonds (distance) C4'-P energy: -73.978 bonds (distance) P-C4' energy: -85.483 flat angles C4'-P-C4' energy: -72.773 flat angles P-C4'-P energy: -51.477 tors. eta vs tors. theta energy: -16.605 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: 3 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1810.467805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.467805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.467805 (E_RNA) where: Base-Base interactions energy: -1279.375 where: short stacking energy: -524.354 Base-Backbone interact. energy: -0.747 local terms energy: -530.346589 where: bonds (distance) C4'-P energy: -85.966 bonds (distance) P-C4' energy: -84.902 flat angles C4'-P-C4' energy: -114.563 flat angles P-C4'-P energy: -82.326 tors. eta vs tors. theta energy: -162.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1878.864588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.864588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.864588 (E_RNA) where: Base-Base interactions energy: -1316.019 where: short stacking energy: -526.084 Base-Backbone interact. energy: -0.524 local terms energy: -562.321351 where: bonds (distance) C4'-P energy: -102.992 bonds (distance) P-C4' energy: -95.530 flat angles C4'-P-C4' energy: -121.027 flat angles P-C4'-P energy: -81.149 tors. eta vs tors. theta energy: -161.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1754.993356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.993356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.993356 (E_RNA) where: Base-Base interactions energy: -1213.748 where: short stacking energy: -492.699 Base-Backbone interact. energy: -2.066 local terms energy: -539.180178 where: bonds (distance) C4'-P energy: -89.575 bonds (distance) P-C4' energy: -105.653 flat angles C4'-P-C4' energy: -109.624 flat angles P-C4'-P energy: -74.077 tors. eta vs tors. theta energy: -160.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1643.828965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.828965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.828965 (E_RNA) where: Base-Base interactions energy: -1133.855 where: short stacking energy: -471.182 Base-Backbone interact. energy: 0.019 local terms energy: -509.992700 where: bonds (distance) C4'-P energy: -91.458 bonds (distance) P-C4' energy: -88.892 flat angles C4'-P-C4' energy: -109.514 flat angles P-C4'-P energy: -81.773 tors. eta vs tors. theta energy: -138.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1555.582060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.582060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.582060 (E_RNA) where: Base-Base interactions energy: -1066.062 where: short stacking energy: -412.598 Base-Backbone interact. energy: 0.567 local terms energy: -490.087048 where: bonds (distance) C4'-P energy: -74.168 bonds (distance) P-C4' energy: -90.702 flat angles C4'-P-C4' energy: -113.175 flat angles P-C4'-P energy: -80.462 tors. eta vs tors. theta energy: -131.580 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: 6, replica: 4 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1507.436713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.436713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.436713 (E_RNA) where: Base-Base interactions energy: -1058.938 where: short stacking energy: -441.265 Base-Backbone interact. energy: -1.116 local terms energy: -447.382142 where: bonds (distance) C4'-P energy: -84.400 bonds (distance) P-C4' energy: -70.930 flat angles C4'-P-C4' energy: -106.884 flat angles P-C4'-P energy: -52.894 tors. eta vs tors. theta energy: -132.274 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: 5 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1276.059925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.059925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.059925 (E_RNA) where: Base-Base interactions energy: -866.527 where: short stacking energy: -360.178 Base-Backbone interact. energy: -1.849 local terms energy: -407.684404 where: bonds (distance) C4'-P energy: -76.730 bonds (distance) P-C4' energy: -81.591 flat angles C4'-P-C4' energy: -94.564 flat angles P-C4'-P energy: -66.354 tors. eta vs tors. theta energy: -88.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1293.079723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.079723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.079723 (E_RNA) where: Base-Base interactions energy: -872.909 where: short stacking energy: -369.628 Base-Backbone interact. energy: -0.565 local terms energy: -419.605071 where: bonds (distance) C4'-P energy: -86.740 bonds (distance) P-C4' energy: -82.668 flat angles C4'-P-C4' energy: -90.516 flat angles P-C4'-P energy: -57.740 tors. eta vs tors. theta energy: -101.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -1040.224203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.224203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.224203 (E_RNA) where: Base-Base interactions energy: -683.020 where: short stacking energy: -285.151 Base-Backbone interact. energy: 0.340 local terms energy: -357.544125 where: bonds (distance) C4'-P energy: -85.878 bonds (distance) P-C4' energy: -81.430 flat angles C4'-P-C4' energy: -86.496 flat angles P-C4'-P energy: -50.779 tors. eta vs tors. theta energy: -52.961 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: 10 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -752.640041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.640041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.640041 (E_RNA) where: Base-Base interactions energy: -457.995 where: short stacking energy: -234.685 Base-Backbone interact. energy: -0.442 local terms energy: -294.202436 where: bonds (distance) C4'-P energy: -78.910 bonds (distance) P-C4' energy: -76.690 flat angles C4'-P-C4' energy: -55.684 flat angles P-C4'-P energy: -41.891 tors. eta vs tors. theta energy: -41.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1806.311958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.311958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.311958 (E_RNA) where: Base-Base interactions energy: -1289.755 where: short stacking energy: -526.486 Base-Backbone interact. energy: -1.358 local terms energy: -515.199082 where: bonds (distance) C4'-P energy: -85.406 bonds (distance) P-C4' energy: -89.521 flat angles C4'-P-C4' energy: -110.933 flat angles P-C4'-P energy: -79.518 tors. eta vs tors. theta energy: -149.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1876.664751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.664751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.664751 (E_RNA) where: Base-Base interactions energy: -1335.132 where: short stacking energy: -531.605 Base-Backbone interact. energy: 0.653 local terms energy: -542.185412 where: bonds (distance) C4'-P energy: -89.924 bonds (distance) P-C4' energy: -91.627 flat angles C4'-P-C4' energy: -113.806 flat angles P-C4'-P energy: -80.582 tors. eta vs tors. theta energy: -166.247 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: 8 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1739.804366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.804366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.804366 (E_RNA) where: Base-Base interactions energy: -1213.510 where: short stacking energy: -478.635 Base-Backbone interact. energy: -1.647 local terms energy: -524.647556 where: bonds (distance) C4'-P energy: -102.623 bonds (distance) P-C4' energy: -96.407 flat angles C4'-P-C4' energy: -114.429 flat angles P-C4'-P energy: -66.319 tors. eta vs tors. theta energy: -144.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1618.681885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.681885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.681885 (E_RNA) where: Base-Base interactions energy: -1099.186 where: short stacking energy: -465.061 Base-Backbone interact. energy: -1.636 local terms energy: -517.860211 where: bonds (distance) C4'-P energy: -91.057 bonds (distance) P-C4' energy: -90.899 flat angles C4'-P-C4' energy: -113.532 flat angles P-C4'-P energy: -80.616 tors. eta vs tors. theta energy: -141.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1595.980012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.980012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.980012 (E_RNA) where: Base-Base interactions energy: -1114.890 where: short stacking energy: -454.994 Base-Backbone interact. energy: -3.914 local terms energy: -477.176252 where: bonds (distance) C4'-P energy: -84.330 bonds (distance) P-C4' energy: -93.575 flat angles C4'-P-C4' energy: -100.067 flat angles P-C4'-P energy: -68.726 tors. eta vs tors. theta energy: -130.479 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: 4 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1502.340220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.340220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.340220 (E_RNA) where: Base-Base interactions energy: -1030.477 where: short stacking energy: -441.888 Base-Backbone interact. energy: -1.102 local terms energy: -470.761121 where: bonds (distance) C4'-P energy: -87.136 bonds (distance) P-C4' energy: -83.181 flat angles C4'-P-C4' energy: -94.193 flat angles P-C4'-P energy: -67.090 tors. eta vs tors. theta energy: -139.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1317.669103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.669103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.669103 (E_RNA) where: Base-Base interactions energy: -916.423 where: short stacking energy: -379.882 Base-Backbone interact. energy: -0.611 local terms energy: -400.635647 where: bonds (distance) C4'-P energy: -77.746 bonds (distance) P-C4' energy: -68.812 flat angles C4'-P-C4' energy: -97.717 flat angles P-C4'-P energy: -59.660 tors. eta vs tors. theta energy: -96.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1311.363917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.363917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.363917 (E_RNA) where: Base-Base interactions energy: -882.994 where: short stacking energy: -359.203 Base-Backbone interact. energy: -1.574 local terms energy: -426.796104 where: bonds (distance) C4'-P energy: -80.190 bonds (distance) P-C4' energy: -89.663 flat angles C4'-P-C4' energy: -96.422 flat angles P-C4'-P energy: -57.191 tors. eta vs tors. theta energy: -103.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -1098.798017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.798017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.798017 (E_RNA) where: Base-Base interactions energy: -718.865 where: short stacking energy: -294.019 Base-Backbone interact. energy: 0.223 local terms energy: -380.156345 where: bonds (distance) C4'-P energy: -86.406 bonds (distance) P-C4' energy: -87.461 flat angles C4'-P-C4' energy: -78.620 flat angles P-C4'-P energy: -63.000 tors. eta vs tors. theta energy: -64.670 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: 10, replica: 10 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -756.163507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.163507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.163507 (E_RNA) where: Base-Base interactions energy: -422.476 where: short stacking energy: -202.807 Base-Backbone interact. energy: 0.154 local terms energy: -333.841705 where: bonds (distance) C4'-P energy: -91.193 bonds (distance) P-C4' energy: -74.870 flat angles C4'-P-C4' energy: -78.988 flat angles P-C4'-P energy: -63.825 tors. eta vs tors. theta energy: -24.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1896.166554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.166554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.166554 (E_RNA) where: Base-Base interactions energy: -1340.460 where: short stacking energy: -534.849 Base-Backbone interact. energy: -0.655 local terms energy: -555.052306 where: bonds (distance) C4'-P energy: -96.076 bonds (distance) P-C4' energy: -97.004 flat angles C4'-P-C4' energy: -112.910 flat angles P-C4'-P energy: -85.439 tors. eta vs tors. theta energy: -163.624 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: 2, replica: 3 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1760.835794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.835794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.835794 (E_RNA) where: Base-Base interactions energy: -1227.334 where: short stacking energy: -508.058 Base-Backbone interact. energy: -1.043 local terms energy: -532.458979 where: bonds (distance) C4'-P energy: -99.954 bonds (distance) P-C4' energy: -92.355 flat angles C4'-P-C4' energy: -106.495 flat angles P-C4'-P energy: -75.325 tors. eta vs tors. theta energy: -158.330 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: 8 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1731.844136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.844136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.844136 (E_RNA) where: Base-Base interactions energy: -1215.908 where: short stacking energy: -478.418 Base-Backbone interact. energy: -2.132 local terms energy: -513.804183 where: bonds (distance) C4'-P energy: -91.044 bonds (distance) P-C4' energy: -95.207 flat angles C4'-P-C4' energy: -106.589 flat angles P-C4'-P energy: -73.253 tors. eta vs tors. theta energy: -147.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1610.551345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.551345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.551345 (E_RNA) where: Base-Base interactions energy: -1131.635 where: short stacking energy: -470.887 Base-Backbone interact. energy: -0.500 local terms energy: -478.415660 where: bonds (distance) C4'-P energy: -89.470 bonds (distance) P-C4' energy: -99.937 flat angles C4'-P-C4' energy: -98.622 flat angles P-C4'-P energy: -51.578 tors. eta vs tors. theta energy: -138.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1593.191552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.191552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.191552 (E_RNA) where: Base-Base interactions energy: -1115.467 where: short stacking energy: -434.036 Base-Backbone interact. energy: -0.875 local terms energy: -476.849260 where: bonds (distance) C4'-P energy: -79.658 bonds (distance) P-C4' energy: -81.630 flat angles C4'-P-C4' energy: -107.655 flat angles P-C4'-P energy: -73.306 tors. eta vs tors. theta energy: -134.599 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: 6, replica: 4 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1470.902131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.902131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.902131 (E_RNA) where: Base-Base interactions energy: -1004.000 where: short stacking energy: -432.887 Base-Backbone interact. energy: -1.962 local terms energy: -464.940262 where: bonds (distance) C4'-P energy: -93.563 bonds (distance) P-C4' energy: -74.668 flat angles C4'-P-C4' energy: -99.741 flat angles P-C4'-P energy: -69.295 tors. eta vs tors. theta energy: -127.673 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: 354 Temperature: 1.200000 Total energy: -1313.436208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.436208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.436208 (E_RNA) where: Base-Base interactions energy: -897.429 where: short stacking energy: -380.486 Base-Backbone interact. energy: -0.253 local terms energy: -415.753484 where: bonds (distance) C4'-P energy: -78.844 bonds (distance) P-C4' energy: -82.875 flat angles C4'-P-C4' energy: -96.852 flat angles P-C4'-P energy: -57.666 tors. eta vs tors. theta energy: -99.517 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: 354 Temperature: 1.250000 Total energy: -1276.483626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.483626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.483626 (E_RNA) where: Base-Base interactions energy: -864.053 where: short stacking energy: -349.179 Base-Backbone interact. energy: -1.248 local terms energy: -411.182634 where: bonds (distance) C4'-P energy: -78.217 bonds (distance) P-C4' energy: -86.518 flat angles C4'-P-C4' energy: -88.431 flat angles P-C4'-P energy: -57.335 tors. eta vs tors. theta energy: -100.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -1082.540957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.540957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.540957 (E_RNA) where: Base-Base interactions energy: -714.969 where: short stacking energy: -308.293 Base-Backbone interact. energy: 0.683 local terms energy: -368.255670 where: bonds (distance) C4'-P energy: -86.258 bonds (distance) P-C4' energy: -87.361 flat angles C4'-P-C4' energy: -77.692 flat angles P-C4'-P energy: -48.252 tors. eta vs tors. theta energy: -68.693 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: 10 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -740.485221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.485221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.485221 (E_RNA) where: Base-Base interactions energy: -425.308 where: short stacking energy: -207.451 Base-Backbone interact. energy: 2.736 local terms energy: -317.913190 where: bonds (distance) C4'-P energy: -72.750 bonds (distance) P-C4' energy: -83.386 flat angles C4'-P-C4' energy: -87.880 flat angles P-C4'-P energy: -41.687 tors. eta vs tors. theta energy: -32.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1899.873863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.873863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.873863 (E_RNA) where: Base-Base interactions energy: -1367.863 where: short stacking energy: -546.783 Base-Backbone interact. energy: -1.848 local terms energy: -530.163165 where: bonds (distance) C4'-P energy: -93.569 bonds (distance) P-C4' energy: -92.167 flat angles C4'-P-C4' energy: -111.390 flat angles P-C4'-P energy: -69.445 tors. eta vs tors. theta energy: -163.593 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: 8 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1774.766770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.766770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.766770 (E_RNA) where: Base-Base interactions energy: -1242.006 where: short stacking energy: -495.617 Base-Backbone interact. energy: 0.582 local terms energy: -533.343232 where: bonds (distance) C4'-P energy: -101.979 bonds (distance) P-C4' energy: -93.524 flat angles C4'-P-C4' energy: -106.417 flat angles P-C4'-P energy: -78.116 tors. eta vs tors. theta energy: -153.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1722.720725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.720725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.720725 (E_RNA) where: Base-Base interactions energy: -1208.206 where: short stacking energy: -491.635 Base-Backbone interact. energy: -0.709 local terms energy: -513.805564 where: bonds (distance) C4'-P energy: -84.388 bonds (distance) P-C4' energy: -100.377 flat angles C4'-P-C4' energy: -108.793 flat angles P-C4'-P energy: -72.217 tors. eta vs tors. theta energy: -148.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1650.407805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.407805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.407805 (E_RNA) where: Base-Base interactions energy: -1139.257 where: short stacking energy: -470.719 Base-Backbone interact. energy: -0.888 local terms energy: -510.263089 where: bonds (distance) C4'-P energy: -94.147 bonds (distance) P-C4' energy: -88.915 flat angles C4'-P-C4' energy: -96.810 flat angles P-C4'-P energy: -82.491 tors. eta vs tors. theta energy: -147.900 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: 5, replica: 6 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1610.472674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.472674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.472674 (E_RNA) where: Base-Base interactions energy: -1133.445 where: short stacking energy: -456.241 Base-Backbone interact. energy: -1.013 local terms energy: -476.014307 where: bonds (distance) C4'-P energy: -89.962 bonds (distance) P-C4' energy: -91.896 flat angles C4'-P-C4' energy: -92.435 flat angles P-C4'-P energy: -59.213 tors. eta vs tors. theta energy: -142.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1468.625791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.625791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.625791 (E_RNA) where: Base-Base interactions energy: -1023.428 where: short stacking energy: -420.755 Base-Backbone interact. energy: -0.774 local terms energy: -444.423706 where: bonds (distance) C4'-P energy: -75.053 bonds (distance) P-C4' energy: -77.023 flat angles C4'-P-C4' energy: -99.501 flat angles P-C4'-P energy: -66.830 tors. eta vs tors. theta energy: -126.017 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: 5 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1288.007184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.007184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.007184 (E_RNA) where: Base-Base interactions energy: -896.763 where: short stacking energy: -387.546 Base-Backbone interact. energy: -0.687 local terms energy: -390.556871 where: bonds (distance) C4'-P energy: -69.603 bonds (distance) P-C4' energy: -63.616 flat angles C4'-P-C4' energy: -95.347 flat angles P-C4'-P energy: -55.063 tors. eta vs tors. theta energy: -106.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1281.193891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.193891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.193891 (E_RNA) where: Base-Base interactions energy: -882.347 where: short stacking energy: -358.786 Base-Backbone interact. energy: -0.298 local terms energy: -398.548492 where: bonds (distance) C4'-P energy: -79.227 bonds (distance) P-C4' energy: -69.146 flat angles C4'-P-C4' energy: -89.195 flat angles P-C4'-P energy: -63.838 tors. eta vs tors. theta energy: -97.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -1112.288564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.288564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.288564 (E_RNA) where: Base-Base interactions energy: -738.515 where: short stacking energy: -320.987 Base-Backbone interact. energy: 0.586 local terms energy: -374.358890 where: bonds (distance) C4'-P energy: -64.812 bonds (distance) P-C4' energy: -87.125 flat angles C4'-P-C4' energy: -91.245 flat angles P-C4'-P energy: -52.147 tors. eta vs tors. theta energy: -79.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -747.363360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.363360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.363360 (E_RNA) where: Base-Base interactions energy: -450.602 where: short stacking energy: -204.919 Base-Backbone interact. energy: 2.012 local terms energy: -298.773813 where: bonds (distance) C4'-P energy: -74.160 bonds (distance) P-C4' energy: -78.091 flat angles C4'-P-C4' energy: -69.615 flat angles P-C4'-P energy: -41.036 tors. eta vs tors. theta energy: -35.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1905.709132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.709132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.709132 (E_RNA) where: Base-Base interactions energy: -1358.723 where: short stacking energy: -539.525 Base-Backbone interact. energy: -1.042 local terms energy: -545.943966 where: bonds (distance) C4'-P energy: -80.666 bonds (distance) P-C4' energy: -100.624 flat angles C4'-P-C4' energy: -114.130 flat angles P-C4'-P energy: -79.894 tors. eta vs tors. theta energy: -170.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1761.948601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.948601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.948601 (E_RNA) where: Base-Base interactions energy: -1244.231 where: short stacking energy: -508.567 Base-Backbone interact. energy: -0.761 local terms energy: -516.956756 where: bonds (distance) C4'-P energy: -91.728 bonds (distance) P-C4' energy: -100.693 flat angles C4'-P-C4' energy: -102.061 flat angles P-C4'-P energy: -64.734 tors. eta vs tors. theta energy: -157.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1753.386260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.386260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.386260 (E_RNA) where: Base-Base interactions energy: -1242.382 where: short stacking energy: -498.850 Base-Backbone interact. energy: -0.588 local terms energy: -510.416058 where: bonds (distance) C4'-P energy: -90.667 bonds (distance) P-C4' energy: -84.568 flat angles C4'-P-C4' energy: -107.310 flat angles P-C4'-P energy: -73.422 tors. eta vs tors. theta energy: -154.449 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: 4, replica: 7 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1642.526536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.526536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.526536 (E_RNA) where: Base-Base interactions energy: -1137.055 where: short stacking energy: -476.835 Base-Backbone interact. energy: 1.323 local terms energy: -506.794266 where: bonds (distance) C4'-P energy: -81.560 bonds (distance) P-C4' energy: -92.466 flat angles C4'-P-C4' energy: -103.829 flat angles P-C4'-P energy: -72.457 tors. eta vs tors. theta energy: -156.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1600.937482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.937482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.937482 (E_RNA) where: Base-Base interactions energy: -1127.365 where: short stacking energy: -452.226 Base-Backbone interact. energy: 0.149 local terms energy: -473.721173 where: bonds (distance) C4'-P energy: -79.927 bonds (distance) P-C4' energy: -83.830 flat angles C4'-P-C4' energy: -105.638 flat angles P-C4'-P energy: -67.334 tors. eta vs tors. theta energy: -136.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1479.145485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.145485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.145485 (E_RNA) where: Base-Base interactions energy: -1016.528 where: short stacking energy: -403.653 Base-Backbone interact. energy: 1.557 local terms energy: -464.174546 where: bonds (distance) C4'-P energy: -72.586 bonds (distance) P-C4' energy: -94.130 flat angles C4'-P-C4' energy: -97.347 flat angles P-C4'-P energy: -82.730 tors. eta vs tors. theta energy: -117.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1314.264828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.264828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.264828 (E_RNA) where: Base-Base interactions energy: -894.569 where: short stacking energy: -362.245 Base-Backbone interact. energy: 1.632 local terms energy: -421.327973 where: bonds (distance) C4'-P energy: -86.550 bonds (distance) P-C4' energy: -77.014 flat angles C4'-P-C4' energy: -96.409 flat angles P-C4'-P energy: -66.601 tors. eta vs tors. theta energy: -94.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1239.390815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.390815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.390815 (E_RNA) where: Base-Base interactions energy: -836.836 where: short stacking energy: -353.019 Base-Backbone interact. energy: 0.652 local terms energy: -403.206201 where: bonds (distance) C4'-P energy: -78.380 bonds (distance) P-C4' energy: -88.918 flat angles C4'-P-C4' energy: -92.056 flat angles P-C4'-P energy: -57.180 tors. eta vs tors. theta energy: -86.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -1080.433352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.433352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.433352 (E_RNA) where: Base-Base interactions energy: -710.930 where: short stacking energy: -319.769 Base-Backbone interact. energy: 0.159 local terms energy: -369.661836 where: bonds (distance) C4'-P energy: -77.027 bonds (distance) P-C4' energy: -84.792 flat angles C4'-P-C4' energy: -79.870 flat angles P-C4'-P energy: -50.434 tors. eta vs tors. theta energy: -77.538 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: 10, replica: 10 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -778.292016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.292016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.292016 (E_RNA) where: Base-Base interactions energy: -465.858 where: short stacking energy: -229.179 Base-Backbone interact. energy: 1.137 local terms energy: -313.571332 where: bonds (distance) C4'-P energy: -79.878 bonds (distance) P-C4' energy: -83.059 flat angles C4'-P-C4' energy: -78.493 flat angles P-C4'-P energy: -33.924 tors. eta vs tors. theta energy: -38.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1894.534506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.534506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.534506 (E_RNA) where: Base-Base interactions energy: -1334.971 where: short stacking energy: -534.904 Base-Backbone interact. energy: -0.987 local terms energy: -558.576458 where: bonds (distance) C4'-P energy: -93.470 bonds (distance) P-C4' energy: -96.947 flat angles C4'-P-C4' energy: -115.514 flat angles P-C4'-P energy: -87.707 tors. eta vs tors. theta energy: -164.939 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: 2, replica: 8 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1747.568846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.568846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.568846 (E_RNA) where: Base-Base interactions energy: -1218.542 where: short stacking energy: -482.282 Base-Backbone interact. energy: -2.744 local terms energy: -526.282611 where: bonds (distance) C4'-P energy: -97.467 bonds (distance) P-C4' energy: -93.541 flat angles C4'-P-C4' energy: -112.362 flat angles P-C4'-P energy: -75.192 tors. eta vs tors. theta energy: -147.720 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: 3 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1786.518718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.518718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.518718 (E_RNA) where: Base-Base interactions energy: -1256.967 where: short stacking energy: -506.731 Base-Backbone interact. energy: -2.631 local terms energy: -526.920968 where: bonds (distance) C4'-P energy: -87.481 bonds (distance) P-C4' energy: -100.179 flat angles C4'-P-C4' energy: -104.241 flat angles P-C4'-P energy: -76.759 tors. eta vs tors. theta energy: -158.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1647.798993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.798993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.798993 (E_RNA) where: Base-Base interactions energy: -1138.739 where: short stacking energy: -469.167 Base-Backbone interact. energy: -1.259 local terms energy: -507.801006 where: bonds (distance) C4'-P energy: -94.143 bonds (distance) P-C4' energy: -92.165 flat angles C4'-P-C4' energy: -108.600 flat angles P-C4'-P energy: -71.866 tors. eta vs tors. theta energy: -141.028 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: 5, replica: 6 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1565.444095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.444095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.444095 (E_RNA) where: Base-Base interactions energy: -1090.007 where: short stacking energy: -432.531 Base-Backbone interact. energy: -3.512 local terms energy: -471.925021 where: bonds (distance) C4'-P energy: -80.745 bonds (distance) P-C4' energy: -94.120 flat angles C4'-P-C4' energy: -103.008 flat angles P-C4'-P energy: -65.682 tors. eta vs tors. theta energy: -128.370 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: 4 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1479.925539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.925539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.925539 (E_RNA) where: Base-Base interactions energy: -1028.490 where: short stacking energy: -426.658 Base-Backbone interact. energy: -3.510 local terms energy: -447.925956 where: bonds (distance) C4'-P energy: -73.516 bonds (distance) P-C4' energy: -78.710 flat angles C4'-P-C4' energy: -104.134 flat angles P-C4'-P energy: -64.709 tors. eta vs tors. theta energy: -126.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1310.545792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.545792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.545792 (E_RNA) where: Base-Base interactions energy: -889.417 where: short stacking energy: -361.246 Base-Backbone interact. energy: 1.443 local terms energy: -422.571995 where: bonds (distance) C4'-P energy: -81.986 bonds (distance) P-C4' energy: -93.320 flat angles C4'-P-C4' energy: -96.082 flat angles P-C4'-P energy: -54.583 tors. eta vs tors. theta energy: -96.601 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: 5 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1261.823396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.823396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.823396 (E_RNA) where: Base-Base interactions energy: -851.641 where: short stacking energy: -339.754 Base-Backbone interact. energy: -1.978 local terms energy: -408.204873 where: bonds (distance) C4'-P energy: -75.932 bonds (distance) P-C4' energy: -93.142 flat angles C4'-P-C4' energy: -87.454 flat angles P-C4'-P energy: -61.125 tors. eta vs tors. theta energy: -90.552 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: 9, replica: 9 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -1078.581835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.581835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.581835 (E_RNA) where: Base-Base interactions energy: -699.536 where: short stacking energy: -292.538 Base-Backbone interact. energy: 0.040 local terms energy: -379.086328 where: bonds (distance) C4'-P energy: -70.576 bonds (distance) P-C4' energy: -90.478 flat angles C4'-P-C4' energy: -93.603 flat angles P-C4'-P energy: -59.006 tors. eta vs tors. theta energy: -65.423 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: 357 Temperature: 1.350000 Total energy: -792.177312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.177312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.177312 (E_RNA) where: Base-Base interactions energy: -487.669 where: short stacking energy: -224.172 Base-Backbone interact. energy: 1.536 local terms energy: -306.044293 where: bonds (distance) C4'-P energy: -58.795 bonds (distance) P-C4' energy: -70.063 flat angles C4'-P-C4' energy: -89.762 flat angles P-C4'-P energy: -54.197 tors. eta vs tors. theta energy: -33.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1890.491564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.491564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.491564 (E_RNA) where: Base-Base interactions energy: -1363.623 where: short stacking energy: -530.945 Base-Backbone interact. energy: -0.561 local terms energy: -526.306891 where: bonds (distance) C4'-P energy: -93.633 bonds (distance) P-C4' energy: -87.451 flat angles C4'-P-C4' energy: -106.170 flat angles P-C4'-P energy: -77.933 tors. eta vs tors. theta energy: -161.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1765.105986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.105986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.105986 (E_RNA) where: Base-Base interactions energy: -1243.332 where: short stacking energy: -496.747 Base-Backbone interact. energy: -2.158 local terms energy: -519.616133 where: bonds (distance) C4'-P energy: -85.519 bonds (distance) P-C4' energy: -89.337 flat angles C4'-P-C4' energy: -119.346 flat angles P-C4'-P energy: -75.295 tors. eta vs tors. theta energy: -150.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1766.036397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.036397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.036397 (E_RNA) where: Base-Base interactions energy: -1260.626 where: short stacking energy: -515.313 Base-Backbone interact. energy: 0.645 local terms energy: -506.055239 where: bonds (distance) C4'-P energy: -93.093 bonds (distance) P-C4' energy: -80.140 flat angles C4'-P-C4' energy: -109.558 flat angles P-C4'-P energy: -69.651 tors. eta vs tors. theta energy: -153.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1649.449114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.449114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.449114 (E_RNA) where: Base-Base interactions energy: -1147.088 where: short stacking energy: -477.521 Base-Backbone interact. energy: -1.938 local terms energy: -500.423066 where: bonds (distance) C4'-P energy: -83.146 bonds (distance) P-C4' energy: -89.412 flat angles C4'-P-C4' energy: -108.743 flat angles P-C4'-P energy: -72.810 tors. eta vs tors. theta energy: -146.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1533.838669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.838669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.838669 (E_RNA) where: Base-Base interactions energy: -1077.264 where: short stacking energy: -433.052 Base-Backbone interact. energy: -0.498 local terms energy: -456.076046 where: bonds (distance) C4'-P energy: -87.729 bonds (distance) P-C4' energy: -92.829 flat angles C4'-P-C4' energy: -96.220 flat angles P-C4'-P energy: -56.493 tors. eta vs tors. theta energy: -122.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1450.962961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.962961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.962961 (E_RNA) where: Base-Base interactions energy: -1016.658 where: short stacking energy: -422.484 Base-Backbone interact. energy: -0.099 local terms energy: -434.206169 where: bonds (distance) C4'-P energy: -64.352 bonds (distance) P-C4' energy: -92.365 flat angles C4'-P-C4' energy: -96.289 flat angles P-C4'-P energy: -67.214 tors. eta vs tors. theta energy: -113.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1334.348680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.348680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.348680 (E_RNA) where: Base-Base interactions energy: -922.357 where: short stacking energy: -357.293 Base-Backbone interact. energy: -0.478 local terms energy: -411.513654 where: bonds (distance) C4'-P energy: -77.294 bonds (distance) P-C4' energy: -86.307 flat angles C4'-P-C4' energy: -90.784 flat angles P-C4'-P energy: -59.153 tors. eta vs tors. theta energy: -97.975 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: 1 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1226.829886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.829886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.829886 (E_RNA) where: Base-Base interactions energy: -831.231 where: short stacking energy: -333.476 Base-Backbone interact. energy: 1.698 local terms energy: -397.297784 where: bonds (distance) C4'-P energy: -89.387 bonds (distance) P-C4' energy: -80.544 flat angles C4'-P-C4' energy: -93.247 flat angles P-C4'-P energy: -52.937 tors. eta vs tors. theta energy: -81.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -1067.247760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.247760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.247760 (E_RNA) where: Base-Base interactions energy: -691.066 where: short stacking energy: -287.830 Base-Backbone interact. energy: 2.142 local terms energy: -378.324429 where: bonds (distance) C4'-P energy: -76.910 bonds (distance) P-C4' energy: -82.133 flat angles C4'-P-C4' energy: -94.501 flat angles P-C4'-P energy: -63.142 tors. eta vs tors. theta energy: -61.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -780.967796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.967796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.967796 (E_RNA) where: Base-Base interactions energy: -466.494 where: short stacking energy: -211.328 Base-Backbone interact. energy: -3.096 local terms energy: -311.378543 where: bonds (distance) C4'-P energy: -80.595 bonds (distance) P-C4' energy: -78.832 flat angles C4'-P-C4' energy: -78.332 flat angles P-C4'-P energy: -50.233 tors. eta vs tors. theta energy: -23.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1894.470901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.470901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.470901 (E_RNA) where: Base-Base interactions energy: -1324.365 where: short stacking energy: -526.695 Base-Backbone interact. energy: -1.677 local terms energy: -568.428671 where: bonds (distance) C4'-P energy: -94.535 bonds (distance) P-C4' energy: -107.079 flat angles C4'-P-C4' energy: -116.367 flat angles P-C4'-P energy: -90.229 tors. eta vs tors. theta energy: -160.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1796.961735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.961735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.961735 (E_RNA) where: Base-Base interactions energy: -1260.723 where: short stacking energy: -515.422 Base-Backbone interact. energy: -0.810 local terms energy: -535.428944 where: bonds (distance) C4'-P energy: -93.724 bonds (distance) P-C4' energy: -96.230 flat angles C4'-P-C4' energy: -109.804 flat angles P-C4'-P energy: -76.351 tors. eta vs tors. theta energy: -159.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1744.567814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.567814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.567814 (E_RNA) where: Base-Base interactions energy: -1216.792 where: short stacking energy: -494.382 Base-Backbone interact. energy: -2.120 local terms energy: -525.655677 where: bonds (distance) C4'-P energy: -94.992 bonds (distance) P-C4' energy: -95.375 flat angles C4'-P-C4' energy: -100.884 flat angles P-C4'-P energy: -77.359 tors. eta vs tors. theta energy: -157.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1616.778282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.778282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.778282 (E_RNA) where: Base-Base interactions energy: -1110.532 where: short stacking energy: -466.480 Base-Backbone interact. energy: -2.989 local terms energy: -503.256864 where: bonds (distance) C4'-P energy: -70.801 bonds (distance) P-C4' energy: -100.294 flat angles C4'-P-C4' energy: -103.979 flat angles P-C4'-P energy: -73.899 tors. eta vs tors. theta energy: -154.284 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: 6 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1528.970741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.970741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.970741 (E_RNA) where: Base-Base interactions energy: -1052.110 where: short stacking energy: -428.488 Base-Backbone interact. energy: -1.480 local terms energy: -475.380263 where: bonds (distance) C4'-P energy: -85.712 bonds (distance) P-C4' energy: -89.146 flat angles C4'-P-C4' energy: -101.391 flat angles P-C4'-P energy: -76.428 tors. eta vs tors. theta energy: -122.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1459.962988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.962988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.962988 (E_RNA) where: Base-Base interactions energy: -1011.135 where: short stacking energy: -420.264 Base-Backbone interact. energy: -1.843 local terms energy: -446.985410 where: bonds (distance) C4'-P energy: -86.327 bonds (distance) P-C4' energy: -90.220 flat angles C4'-P-C4' energy: -88.198 flat angles P-C4'-P energy: -55.523 tors. eta vs tors. theta energy: -126.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1440.261205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.261205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.261205 (E_RNA) where: Base-Base interactions energy: -1009.865 where: short stacking energy: -402.921 Base-Backbone interact. energy: -1.606 local terms energy: -428.789864 where: bonds (distance) C4'-P energy: -78.300 bonds (distance) P-C4' energy: -84.090 flat angles C4'-P-C4' energy: -101.882 flat angles P-C4'-P energy: -50.766 tors. eta vs tors. theta energy: -113.752 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: 1 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1305.543435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.543435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.543435 (E_RNA) where: Base-Base interactions energy: -919.709 where: short stacking energy: -346.446 Base-Backbone interact. energy: 7.560 local terms energy: -393.394791 where: bonds (distance) C4'-P energy: -78.923 bonds (distance) P-C4' energy: -86.435 flat angles C4'-P-C4' energy: -92.858 flat angles P-C4'-P energy: -46.258 tors. eta vs tors. theta energy: -88.922 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: 359 Temperature: 1.300000 Total energy: -1032.372744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.372744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.372744 (E_RNA) where: Base-Base interactions energy: -684.480 where: short stacking energy: -290.314 Base-Backbone interact. energy: -0.938 local terms energy: -346.955140 where: bonds (distance) C4'-P energy: -77.686 bonds (distance) P-C4' energy: -74.921 flat angles C4'-P-C4' energy: -79.299 flat angles P-C4'-P energy: -38.799 tors. eta vs tors. theta energy: -76.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -788.981252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.981252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.981252 (E_RNA) where: Base-Base interactions energy: -470.158 where: short stacking energy: -225.157 Base-Backbone interact. energy: -1.014 local terms energy: -317.809111 where: bonds (distance) C4'-P energy: -91.308 bonds (distance) P-C4' energy: -71.810 flat angles C4'-P-C4' energy: -79.194 flat angles P-C4'-P energy: -37.678 tors. eta vs tors. theta energy: -37.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1912.392381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.392381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.392381 (E_RNA) where: Base-Base interactions energy: -1353.591 where: short stacking energy: -546.143 Base-Backbone interact. energy: -0.248 local terms energy: -558.553770 where: bonds (distance) C4'-P energy: -92.135 bonds (distance) P-C4' energy: -99.892 flat angles C4'-P-C4' energy: -117.544 flat angles P-C4'-P energy: -78.413 tors. eta vs tors. theta energy: -170.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1797.207657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.207657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.207657 (E_RNA) where: Base-Base interactions energy: -1268.121 where: short stacking energy: -507.619 Base-Backbone interact. energy: -0.336 local terms energy: -528.750401 where: bonds (distance) C4'-P energy: -87.830 bonds (distance) P-C4' energy: -90.070 flat angles C4'-P-C4' energy: -106.603 flat angles P-C4'-P energy: -84.382 tors. eta vs tors. theta energy: -159.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1729.725919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.725919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.725919 (E_RNA) where: Base-Base interactions energy: -1213.793 where: short stacking energy: -484.922 Base-Backbone interact. energy: -1.221 local terms energy: -514.711773 where: bonds (distance) C4'-P energy: -98.837 bonds (distance) P-C4' energy: -83.838 flat angles C4'-P-C4' energy: -105.968 flat angles P-C4'-P energy: -74.581 tors. eta vs tors. theta energy: -151.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1626.109214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.109214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.109214 (E_RNA) where: Base-Base interactions energy: -1121.766 where: short stacking energy: -457.635 Base-Backbone interact. energy: 1.109 local terms energy: -505.452563 where: bonds (distance) C4'-P energy: -82.193 bonds (distance) P-C4' energy: -97.082 flat angles C4'-P-C4' energy: -108.532 flat angles P-C4'-P energy: -80.565 tors. eta vs tors. theta energy: -137.080 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: 6 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1586.941409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.941409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.941409 (E_RNA) where: Base-Base interactions energy: -1110.107 where: short stacking energy: -446.757 Base-Backbone interact. energy: -1.346 local terms energy: -475.488656 where: bonds (distance) C4'-P energy: -89.070 bonds (distance) P-C4' energy: -90.797 flat angles C4'-P-C4' energy: -100.143 flat angles P-C4'-P energy: -67.003 tors. eta vs tors. theta energy: -128.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1473.208429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.208429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.208429 (E_RNA) where: Base-Base interactions energy: -1017.601 where: short stacking energy: -426.738 Base-Backbone interact. energy: -0.569 local terms energy: -455.038023 where: bonds (distance) C4'-P energy: -78.973 bonds (distance) P-C4' energy: -96.808 flat angles C4'-P-C4' energy: -90.511 flat angles P-C4'-P energy: -55.862 tors. eta vs tors. theta energy: -132.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1435.835952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.835952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.835952 (E_RNA) where: Base-Base interactions energy: -998.783 where: short stacking energy: -395.897 Base-Backbone interact. energy: -1.638 local terms energy: -435.414472 where: bonds (distance) C4'-P energy: -86.191 bonds (distance) P-C4' energy: -73.610 flat angles C4'-P-C4' energy: -96.575 flat angles P-C4'-P energy: -60.560 tors. eta vs tors. theta energy: -118.478 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: 1 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1283.836483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.836483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.836483 (E_RNA) where: Base-Base interactions energy: -876.235 where: short stacking energy: -356.758 Base-Backbone interact. energy: -1.639 local terms energy: -405.962260 where: bonds (distance) C4'-P energy: -72.415 bonds (distance) P-C4' energy: -81.531 flat angles C4'-P-C4' energy: -90.459 flat angles P-C4'-P energy: -63.235 tors. eta vs tors. theta energy: -98.322 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: 9 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -1081.944367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.944367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.944367 (E_RNA) where: Base-Base interactions energy: -729.977 where: short stacking energy: -311.672 Base-Backbone interact. energy: -0.372 local terms energy: -351.595902 where: bonds (distance) C4'-P energy: -66.438 bonds (distance) P-C4' energy: -79.609 flat angles C4'-P-C4' energy: -81.148 flat angles P-C4'-P energy: -52.146 tors. eta vs tors. theta energy: -72.256 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: 10 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -746.765037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.765037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.765037 (E_RNA) where: Base-Base interactions energy: -436.244 where: short stacking energy: -202.573 Base-Backbone interact. energy: 1.225 local terms energy: -311.746027 where: bonds (distance) C4'-P energy: -67.699 bonds (distance) P-C4' energy: -78.900 flat angles C4'-P-C4' energy: -84.169 flat angles P-C4'-P energy: -47.958 tors. eta vs tors. theta energy: -33.019 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: 1, replica: 2 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1899.501517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.501517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.501517 (E_RNA) where: Base-Base interactions energy: -1346.284 where: short stacking energy: -531.851 Base-Backbone interact. energy: -1.625 local terms energy: -551.592452 where: bonds (distance) C4'-P energy: -97.992 bonds (distance) P-C4' energy: -101.277 flat angles C4'-P-C4' energy: -115.929 flat angles P-C4'-P energy: -67.728 tors. eta vs tors. theta energy: -168.668 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: 2, replica: 8 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1795.146263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.146263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.146263 (E_RNA) where: Base-Base interactions energy: -1270.566 where: short stacking energy: -510.169 Base-Backbone interact. energy: -1.100 local terms energy: -523.480040 where: bonds (distance) C4'-P energy: -96.571 bonds (distance) P-C4' energy: -90.645 flat angles C4'-P-C4' energy: -102.152 flat angles P-C4'-P energy: -74.508 tors. eta vs tors. theta energy: -159.605 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: 3 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1762.908798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.908798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.908798 (E_RNA) where: Base-Base interactions energy: -1247.146 where: short stacking energy: -504.887 Base-Backbone interact. energy: 3.696 local terms energy: -519.458746 where: bonds (distance) C4'-P energy: -87.778 bonds (distance) P-C4' energy: -100.786 flat angles C4'-P-C4' energy: -103.678 flat angles P-C4'-P energy: -77.411 tors. eta vs tors. theta energy: -149.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1628.665486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.665486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.665486 (E_RNA) where: Base-Base interactions energy: -1126.518 where: short stacking energy: -462.419 Base-Backbone interact. energy: -0.964 local terms energy: -501.183369 where: bonds (distance) C4'-P energy: -85.798 bonds (distance) P-C4' energy: -81.159 flat angles C4'-P-C4' energy: -113.941 flat angles P-C4'-P energy: -77.574 tors. eta vs tors. theta energy: -142.711 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: 6 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1563.703480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.703480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.703480 (E_RNA) where: Base-Base interactions energy: -1099.083 where: short stacking energy: -431.268 Base-Backbone interact. energy: -1.110 local terms energy: -463.510711 where: bonds (distance) C4'-P energy: -84.687 bonds (distance) P-C4' energy: -87.576 flat angles C4'-P-C4' energy: -98.619 flat angles P-C4'-P energy: -65.594 tors. eta vs tors. theta energy: -127.035 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: 4 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1492.341033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.341033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.341033 (E_RNA) where: Base-Base interactions energy: -1024.416 where: short stacking energy: -420.874 Base-Backbone interact. energy: -2.452 local terms energy: -465.473313 where: bonds (distance) C4'-P energy: -86.905 bonds (distance) P-C4' energy: -67.538 flat angles C4'-P-C4' energy: -113.927 flat angles P-C4'-P energy: -66.143 tors. eta vs tors. theta energy: -130.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1379.776679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.776679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.776679 (E_RNA) where: Base-Base interactions energy: -964.900 where: short stacking energy: -379.413 Base-Backbone interact. energy: -1.405 local terms energy: -413.471748 where: bonds (distance) C4'-P energy: -63.234 bonds (distance) P-C4' energy: -87.910 flat angles C4'-P-C4' energy: -98.416 flat angles P-C4'-P energy: -48.838 tors. eta vs tors. theta energy: -115.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1230.474264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.474264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.474264 (E_RNA) where: Base-Base interactions energy: -839.704 where: short stacking energy: -353.289 Base-Backbone interact. energy: -2.683 local terms energy: -388.086728 where: bonds (distance) C4'-P energy: -82.018 bonds (distance) P-C4' energy: -72.016 flat angles C4'-P-C4' energy: -89.739 flat angles P-C4'-P energy: -52.375 tors. eta vs tors. theta energy: -91.939 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: 9 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -1081.706224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.706224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.706224 (E_RNA) where: Base-Base interactions energy: -733.979 where: short stacking energy: -314.759 Base-Backbone interact. energy: 3.155 local terms energy: -350.882253 where: bonds (distance) C4'-P energy: -76.795 bonds (distance) P-C4' energy: -82.837 flat angles C4'-P-C4' energy: -80.397 flat angles P-C4'-P energy: -46.435 tors. eta vs tors. theta energy: -64.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -743.885083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.885083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.885083 (E_RNA) where: Base-Base interactions energy: -440.452 where: short stacking energy: -181.896 Base-Backbone interact. energy: -0.514 local terms energy: -302.918596 where: bonds (distance) C4'-P energy: -87.240 bonds (distance) P-C4' energy: -75.990 flat angles C4'-P-C4' energy: -74.650 flat angles P-C4'-P energy: -52.909 tors. eta vs tors. theta energy: -12.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1905.327166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.327166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.327166 (E_RNA) where: Base-Base interactions energy: -1348.715 where: short stacking energy: -532.487 Base-Backbone interact. energy: -0.571 local terms energy: -556.040877 where: bonds (distance) C4'-P energy: -101.375 bonds (distance) P-C4' energy: -98.619 flat angles C4'-P-C4' energy: -117.586 flat angles P-C4'-P energy: -68.942 tors. eta vs tors. theta energy: -169.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1789.124305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.124305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.124305 (E_RNA) where: Base-Base interactions energy: -1250.582 where: short stacking energy: -517.953 Base-Backbone interact. energy: 2.381 local terms energy: -540.923699 where: bonds (distance) C4'-P energy: -95.746 bonds (distance) P-C4' energy: -94.152 flat angles C4'-P-C4' energy: -107.157 flat angles P-C4'-P energy: -80.594 tors. eta vs tors. theta energy: -163.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1747.646714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.646714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.646714 (E_RNA) where: Base-Base interactions energy: -1233.262 where: short stacking energy: -497.972 Base-Backbone interact. energy: 2.396 local terms energy: -516.781097 where: bonds (distance) C4'-P energy: -82.929 bonds (distance) P-C4' energy: -89.418 flat angles C4'-P-C4' energy: -113.091 flat angles P-C4'-P energy: -80.442 tors. eta vs tors. theta energy: -150.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1618.516136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.516136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.516136 (E_RNA) where: Base-Base interactions energy: -1098.316 where: short stacking energy: -463.223 Base-Backbone interact. energy: -2.153 local terms energy: -518.046855 where: bonds (distance) C4'-P energy: -103.540 bonds (distance) P-C4' energy: -92.258 flat angles C4'-P-C4' energy: -109.018 flat angles P-C4'-P energy: -68.704 tors. eta vs tors. theta energy: -144.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1580.858718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.858718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.858718 (E_RNA) where: Base-Base interactions energy: -1107.308 where: short stacking energy: -448.913 Base-Backbone interact. energy: -1.183 local terms energy: -472.367564 where: bonds (distance) C4'-P energy: -82.162 bonds (distance) P-C4' energy: -87.559 flat angles C4'-P-C4' energy: -103.438 flat angles P-C4'-P energy: -66.706 tors. eta vs tors. theta energy: -132.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1481.833595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.833595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.833595 (E_RNA) where: Base-Base interactions energy: -1026.721 where: short stacking energy: -406.060 Base-Backbone interact. energy: -0.246 local terms energy: -454.867576 where: bonds (distance) C4'-P energy: -90.566 bonds (distance) P-C4' energy: -77.168 flat angles C4'-P-C4' energy: -91.352 flat angles P-C4'-P energy: -74.076 tors. eta vs tors. theta energy: -121.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1372.428704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.428704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.428704 (E_RNA) where: Base-Base interactions energy: -942.467 where: short stacking energy: -393.357 Base-Backbone interact. energy: 0.263 local terms energy: -430.224840 where: bonds (distance) C4'-P energy: -76.443 bonds (distance) P-C4' energy: -83.209 flat angles C4'-P-C4' energy: -100.262 flat angles P-C4'-P energy: -56.303 tors. eta vs tors. theta energy: -114.009 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: 1 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1277.084058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.084058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.084058 (E_RNA) where: Base-Base interactions energy: -887.051 where: short stacking energy: -372.144 Base-Backbone interact. energy: -0.984 local terms energy: -389.048149 where: bonds (distance) C4'-P energy: -69.659 bonds (distance) P-C4' energy: -75.383 flat angles C4'-P-C4' energy: -91.550 flat angles P-C4'-P energy: -59.297 tors. eta vs tors. theta energy: -93.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -1057.699182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.699182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.699182 (E_RNA) where: Base-Base interactions energy: -689.749 where: short stacking energy: -310.469 Base-Backbone interact. energy: 0.745 local terms energy: -368.695332 where: bonds (distance) C4'-P energy: -62.044 bonds (distance) P-C4' energy: -80.471 flat angles C4'-P-C4' energy: -85.271 flat angles P-C4'-P energy: -56.127 tors. eta vs tors. theta energy: -84.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -772.407677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.407677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.407677 (E_RNA) where: Base-Base interactions energy: -457.847 where: short stacking energy: -192.961 Base-Backbone interact. energy: -2.085 local terms energy: -312.476187 where: bonds (distance) C4'-P energy: -76.794 bonds (distance) P-C4' energy: -83.628 flat angles C4'-P-C4' energy: -74.224 flat angles P-C4'-P energy: -51.217 tors. eta vs tors. theta energy: -26.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1910.287778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.287778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.287778 (E_RNA) where: Base-Base interactions energy: -1359.866 where: short stacking energy: -522.513 Base-Backbone interact. energy: 1.086 local terms energy: -551.507635 where: bonds (distance) C4'-P energy: -98.808 bonds (distance) P-C4' energy: -96.844 flat angles C4'-P-C4' energy: -117.797 flat angles P-C4'-P energy: -73.619 tors. eta vs tors. theta energy: -164.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1798.027052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.027052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.027052 (E_RNA) where: Base-Base interactions energy: -1262.723 where: short stacking energy: -504.432 Base-Backbone interact. energy: 3.561 local terms energy: -538.865811 where: bonds (distance) C4'-P energy: -91.658 bonds (distance) P-C4' energy: -100.001 flat angles C4'-P-C4' energy: -110.479 flat angles P-C4'-P energy: -80.279 tors. eta vs tors. theta energy: -156.449 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: 3 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1774.167866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.167866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.167866 (E_RNA) where: Base-Base interactions energy: -1244.328 where: short stacking energy: -504.654 Base-Backbone interact. energy: 0.996 local terms energy: -530.836131 where: bonds (distance) C4'-P energy: -89.250 bonds (distance) P-C4' energy: -97.746 flat angles C4'-P-C4' energy: -112.130 flat angles P-C4'-P energy: -79.116 tors. eta vs tors. theta energy: -152.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1622.848313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.848313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.848313 (E_RNA) where: Base-Base interactions energy: -1121.510 where: short stacking energy: -476.173 Base-Backbone interact. energy: 0.327 local terms energy: -501.665253 where: bonds (distance) C4'-P energy: -88.058 bonds (distance) P-C4' energy: -94.038 flat angles C4'-P-C4' energy: -99.454 flat angles P-C4'-P energy: -71.715 tors. eta vs tors. theta energy: -148.401 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: 5, replica: 6 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1584.995939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.995939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.995939 (E_RNA) where: Base-Base interactions energy: -1093.529 where: short stacking energy: -455.065 Base-Backbone interact. energy: 0.955 local terms energy: -492.422158 where: bonds (distance) C4'-P energy: -96.106 bonds (distance) P-C4' energy: -90.677 flat angles C4'-P-C4' energy: -105.873 flat angles P-C4'-P energy: -66.759 tors. eta vs tors. theta energy: -133.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1495.720432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.720432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.720432 (E_RNA) where: Base-Base interactions energy: -1024.777 where: short stacking energy: -416.795 Base-Backbone interact. energy: 1.862 local terms energy: -472.804996 where: bonds (distance) C4'-P energy: -88.520 bonds (distance) P-C4' energy: -89.101 flat angles C4'-P-C4' energy: -105.264 flat angles P-C4'-P energy: -55.757 tors. eta vs tors. theta energy: -134.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1412.997815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.997815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.997815 (E_RNA) where: Base-Base interactions energy: -982.095 where: short stacking energy: -396.302 Base-Backbone interact. energy: -1.010 local terms energy: -429.893235 where: bonds (distance) C4'-P energy: -81.572 bonds (distance) P-C4' energy: -71.759 flat angles C4'-P-C4' energy: -93.287 flat angles P-C4'-P energy: -67.707 tors. eta vs tors. theta energy: -115.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1265.468051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.468051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.468051 (E_RNA) where: Base-Base interactions energy: -862.660 where: short stacking energy: -370.170 Base-Backbone interact. energy: 3.040 local terms energy: -405.847560 where: bonds (distance) C4'-P energy: -90.823 bonds (distance) P-C4' energy: -86.188 flat angles C4'-P-C4' energy: -90.361 flat angles P-C4'-P energy: -56.544 tors. eta vs tors. theta energy: -81.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -1087.933064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.933064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.933064 (E_RNA) where: Base-Base interactions energy: -753.055 where: short stacking energy: -320.429 Base-Backbone interact. energy: 2.294 local terms energy: -337.172618 where: bonds (distance) C4'-P energy: -63.738 bonds (distance) P-C4' energy: -81.814 flat angles C4'-P-C4' energy: -73.612 flat angles P-C4'-P energy: -46.547 tors. eta vs tors. theta energy: -71.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -765.108676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.108676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.108676 (E_RNA) where: Base-Base interactions energy: -475.784 where: short stacking energy: -216.176 Base-Backbone interact. energy: 2.213 local terms energy: -291.536975 where: bonds (distance) C4'-P energy: -68.381 bonds (distance) P-C4' energy: -83.769 flat angles C4'-P-C4' energy: -75.830 flat angles P-C4'-P energy: -48.003 tors. eta vs tors. theta energy: -15.554 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: 2 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1885.299304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.299304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.299304 (E_RNA) where: Base-Base interactions energy: -1319.225 where: short stacking energy: -546.006 Base-Backbone interact. energy: -0.597 local terms energy: -565.477473 where: bonds (distance) C4'-P energy: -105.444 bonds (distance) P-C4' energy: -90.592 flat angles C4'-P-C4' energy: -115.107 flat angles P-C4'-P energy: -82.512 tors. eta vs tors. theta energy: -171.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1810.539187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.539187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.539187 (E_RNA) where: Base-Base interactions energy: -1261.090 where: short stacking energy: -502.744 Base-Backbone interact. energy: 0.518 local terms energy: -549.966744 where: bonds (distance) C4'-P energy: -97.989 bonds (distance) P-C4' energy: -97.702 flat angles C4'-P-C4' energy: -114.548 flat angles P-C4'-P energy: -75.416 tors. eta vs tors. theta energy: -164.311 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: 3 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1742.253239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.253239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.253239 (E_RNA) where: Base-Base interactions energy: -1226.389 where: short stacking energy: -503.609 Base-Backbone interact. energy: -1.975 local terms energy: -513.888790 where: bonds (distance) C4'-P energy: -93.554 bonds (distance) P-C4' energy: -85.237 flat angles C4'-P-C4' energy: -110.924 flat angles P-C4'-P energy: -76.356 tors. eta vs tors. theta energy: -147.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1644.707782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.707782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.707782 (E_RNA) where: Base-Base interactions energy: -1139.551 where: short stacking energy: -465.091 Base-Backbone interact. energy: -3.764 local terms energy: -501.393646 where: bonds (distance) C4'-P energy: -85.550 bonds (distance) P-C4' energy: -86.097 flat angles C4'-P-C4' energy: -108.892 flat angles P-C4'-P energy: -73.929 tors. eta vs tors. theta energy: -146.926 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: 364 Temperature: 1.100000 Total energy: -1591.553372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.553372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.553372 (E_RNA) where: Base-Base interactions energy: -1112.041 where: short stacking energy: -455.027 Base-Backbone interact. energy: -0.789 local terms energy: -478.723373 where: bonds (distance) C4'-P energy: -85.896 bonds (distance) P-C4' energy: -88.169 flat angles C4'-P-C4' energy: -98.454 flat angles P-C4'-P energy: -71.185 tors. eta vs tors. theta energy: -135.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1476.310786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.310786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.310786 (E_RNA) where: Base-Base interactions energy: -1022.181 where: short stacking energy: -416.398 Base-Backbone interact. energy: -0.166 local terms energy: -453.963571 where: bonds (distance) C4'-P energy: -67.557 bonds (distance) P-C4' energy: -87.098 flat angles C4'-P-C4' energy: -93.279 flat angles P-C4'-P energy: -67.984 tors. eta vs tors. theta energy: -138.046 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: 1 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1363.230456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.230456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.230456 (E_RNA) where: Base-Base interactions energy: -913.732 where: short stacking energy: -383.180 Base-Backbone interact. energy: -0.070 local terms energy: -449.429182 where: bonds (distance) C4'-P energy: -73.376 bonds (distance) P-C4' energy: -95.746 flat angles C4'-P-C4' energy: -89.474 flat angles P-C4'-P energy: -79.959 tors. eta vs tors. theta energy: -110.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1268.644362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.644362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.644362 (E_RNA) where: Base-Base interactions energy: -867.194 where: short stacking energy: -355.117 Base-Backbone interact. energy: 7.465 local terms energy: -408.915322 where: bonds (distance) C4'-P energy: -79.882 bonds (distance) P-C4' energy: -88.622 flat angles C4'-P-C4' energy: -88.246 flat angles P-C4'-P energy: -54.927 tors. eta vs tors. theta energy: -97.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -1104.452224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.452224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.452224 (E_RNA) where: Base-Base interactions energy: -726.565 where: short stacking energy: -293.899 Base-Backbone interact. energy: 1.926 local terms energy: -379.813189 where: bonds (distance) C4'-P energy: -75.496 bonds (distance) P-C4' energy: -92.773 flat angles C4'-P-C4' energy: -81.852 flat angles P-C4'-P energy: -62.745 tors. eta vs tors. theta energy: -66.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -799.400773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.400773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.400773 (E_RNA) where: Base-Base interactions energy: -512.313 where: short stacking energy: -215.191 Base-Backbone interact. energy: -1.140 local terms energy: -285.947231 where: bonds (distance) C4'-P energy: -88.382 bonds (distance) P-C4' energy: -80.538 flat angles C4'-P-C4' energy: -66.099 flat angles P-C4'-P energy: -28.120 tors. eta vs tors. theta energy: -22.809 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: 1, replica: 2 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1907.040436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.040436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.040436 (E_RNA) where: Base-Base interactions energy: -1335.280 where: short stacking energy: -525.865 Base-Backbone interact. energy: -1.002 local terms energy: -570.758942 where: bonds (distance) C4'-P energy: -98.231 bonds (distance) P-C4' energy: -104.271 flat angles C4'-P-C4' energy: -108.852 flat angles P-C4'-P energy: -92.430 tors. eta vs tors. theta energy: -166.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1824.613525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.613525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.613525 (E_RNA) where: Base-Base interactions energy: -1300.825 where: short stacking energy: -534.963 Base-Backbone interact. energy: -0.361 local terms energy: -523.427904 where: bonds (distance) C4'-P energy: -92.192 bonds (distance) P-C4' energy: -71.731 flat angles C4'-P-C4' energy: -110.611 flat angles P-C4'-P energy: -83.190 tors. eta vs tors. theta energy: -165.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1730.853551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.853551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.853551 (E_RNA) where: Base-Base interactions energy: -1219.447 where: short stacking energy: -493.058 Base-Backbone interact. energy: 0.112 local terms energy: -511.518497 where: bonds (distance) C4'-P energy: -89.984 bonds (distance) P-C4' energy: -93.983 flat angles C4'-P-C4' energy: -105.253 flat angles P-C4'-P energy: -72.638 tors. eta vs tors. theta energy: -149.661 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: 4, replica: 7 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1629.773890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.773890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.773890 (E_RNA) where: Base-Base interactions energy: -1138.754 where: short stacking energy: -466.521 Base-Backbone interact. energy: -2.331 local terms energy: -488.689043 where: bonds (distance) C4'-P energy: -90.494 bonds (distance) P-C4' energy: -78.847 flat angles C4'-P-C4' energy: -101.728 flat angles P-C4'-P energy: -73.728 tors. eta vs tors. theta energy: -143.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1571.302706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.302706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.302706 (E_RNA) where: Base-Base interactions energy: -1100.082 where: short stacking energy: -456.383 Base-Backbone interact. energy: 2.659 local terms energy: -473.879602 where: bonds (distance) C4'-P energy: -70.837 bonds (distance) P-C4' energy: -90.103 flat angles C4'-P-C4' energy: -103.349 flat angles P-C4'-P energy: -77.888 tors. eta vs tors. theta energy: -131.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1467.447016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.447016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.447016 (E_RNA) where: Base-Base interactions energy: -993.997 where: short stacking energy: -411.142 Base-Backbone interact. energy: 1.222 local terms energy: -474.672246 where: bonds (distance) C4'-P energy: -86.762 bonds (distance) P-C4' energy: -95.820 flat angles C4'-P-C4' energy: -100.631 flat angles P-C4'-P energy: -68.255 tors. eta vs tors. theta energy: -123.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1380.014705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.014705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.014705 (E_RNA) where: Base-Base interactions energy: -932.985 where: short stacking energy: -376.676 Base-Backbone interact. energy: -1.575 local terms energy: -445.455461 where: bonds (distance) C4'-P energy: -83.623 bonds (distance) P-C4' energy: -86.872 flat angles C4'-P-C4' energy: -99.726 flat angles P-C4'-P energy: -63.683 tors. eta vs tors. theta energy: -111.551 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: 5 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1281.302303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.302303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.302303 (E_RNA) where: Base-Base interactions energy: -876.138 where: short stacking energy: -362.648 Base-Backbone interact. energy: 2.388 local terms energy: -407.551668 where: bonds (distance) C4'-P energy: -73.675 bonds (distance) P-C4' energy: -82.778 flat angles C4'-P-C4' energy: -96.175 flat angles P-C4'-P energy: -50.819 tors. eta vs tors. theta energy: -104.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -1099.242893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.242893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.242893 (E_RNA) where: Base-Base interactions energy: -751.650 where: short stacking energy: -309.501 Base-Backbone interact. energy: 0.770 local terms energy: -348.363254 where: bonds (distance) C4'-P energy: -66.647 bonds (distance) P-C4' energy: -90.990 flat angles C4'-P-C4' energy: -69.430 flat angles P-C4'-P energy: -48.134 tors. eta vs tors. theta energy: -73.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -869.221624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.221624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.221624 (E_RNA) where: Base-Base interactions energy: -556.850 where: short stacking energy: -264.082 Base-Backbone interact. energy: 4.571 local terms energy: -316.943346 where: bonds (distance) C4'-P energy: -77.205 bonds (distance) P-C4' energy: -62.287 flat angles C4'-P-C4' energy: -83.742 flat angles P-C4'-P energy: -41.812 tors. eta vs tors. theta energy: -51.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1898.030665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.030665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.030665 (E_RNA) where: Base-Base interactions energy: -1364.104 where: short stacking energy: -540.719 Base-Backbone interact. energy: -1.774 local terms energy: -532.152913 where: bonds (distance) C4'-P energy: -86.534 bonds (distance) P-C4' energy: -99.031 flat angles C4'-P-C4' energy: -105.720 flat angles P-C4'-P energy: -73.003 tors. eta vs tors. theta energy: -167.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1814.147845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.147845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.147845 (E_RNA) where: Base-Base interactions energy: -1277.048 where: short stacking energy: -520.639 Base-Backbone interact. energy: 0.396 local terms energy: -537.495428 where: bonds (distance) C4'-P energy: -79.788 bonds (distance) P-C4' energy: -102.800 flat angles C4'-P-C4' energy: -117.695 flat angles P-C4'-P energy: -81.707 tors. eta vs tors. theta energy: -155.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1743.345938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.345938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.345938 (E_RNA) where: Base-Base interactions energy: -1226.361 where: short stacking energy: -509.638 Base-Backbone interact. energy: -0.529 local terms energy: -516.455894 where: bonds (distance) C4'-P energy: -93.260 bonds (distance) P-C4' energy: -95.831 flat angles C4'-P-C4' energy: -113.383 flat angles P-C4'-P energy: -62.400 tors. eta vs tors. theta energy: -151.582 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: 4, replica: 7 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1658.304643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.304643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.304643 (E_RNA) where: Base-Base interactions energy: -1163.814 where: short stacking energy: -449.115 Base-Backbone interact. energy: -1.245 local terms energy: -493.245390 where: bonds (distance) C4'-P energy: -84.731 bonds (distance) P-C4' energy: -87.584 flat angles C4'-P-C4' energy: -103.320 flat angles P-C4'-P energy: -78.095 tors. eta vs tors. theta energy: -139.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1543.763274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.763274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.763274 (E_RNA) where: Base-Base interactions energy: -1058.930 where: short stacking energy: -422.348 Base-Backbone interact. energy: 0.873 local terms energy: -485.706588 where: bonds (distance) C4'-P energy: -82.047 bonds (distance) P-C4' energy: -101.325 flat angles C4'-P-C4' energy: -99.612 flat angles P-C4'-P energy: -73.602 tors. eta vs tors. theta energy: -129.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1526.722304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.722304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.722304 (E_RNA) where: Base-Base interactions energy: -1042.550 where: short stacking energy: -441.141 Base-Backbone interact. energy: 0.041 local terms energy: -484.213170 where: bonds (distance) C4'-P energy: -85.390 bonds (distance) P-C4' energy: -87.409 flat angles C4'-P-C4' energy: -99.430 flat angles P-C4'-P energy: -72.900 tors. eta vs tors. theta energy: -139.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1363.456743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.456743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.456743 (E_RNA) where: Base-Base interactions energy: -917.355 where: short stacking energy: -383.450 Base-Backbone interact. energy: -1.378 local terms energy: -444.723917 where: bonds (distance) C4'-P energy: -78.344 bonds (distance) P-C4' energy: -89.796 flat angles C4'-P-C4' energy: -103.852 flat angles P-C4'-P energy: -60.511 tors. eta vs tors. theta energy: -112.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1272.279556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.279556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.279556 (E_RNA) where: Base-Base interactions energy: -893.914 where: short stacking energy: -375.284 Base-Backbone interact. energy: -0.676 local terms energy: -377.689222 where: bonds (distance) C4'-P energy: -86.052 bonds (distance) P-C4' energy: -67.041 flat angles C4'-P-C4' energy: -83.601 flat angles P-C4'-P energy: -46.752 tors. eta vs tors. theta energy: -94.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -1092.406953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.406953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.406953 (E_RNA) where: Base-Base interactions energy: -727.840 where: short stacking energy: -304.442 Base-Backbone interact. energy: -1.150 local terms energy: -363.416531 where: bonds (distance) C4'-P energy: -71.531 bonds (distance) P-C4' energy: -82.579 flat angles C4'-P-C4' energy: -89.130 flat angles P-C4'-P energy: -47.216 tors. eta vs tors. theta energy: -72.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -871.664121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.664121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.664121 (E_RNA) where: Base-Base interactions energy: -555.103 where: short stacking energy: -244.104 Base-Backbone interact. energy: -2.644 local terms energy: -313.916679 where: bonds (distance) C4'-P energy: -67.829 bonds (distance) P-C4' energy: -73.614 flat angles C4'-P-C4' energy: -76.892 flat angles P-C4'-P energy: -55.147 tors. eta vs tors. theta energy: -40.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1929.086309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.086309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.086309 (E_RNA) where: Base-Base interactions energy: -1375.730 where: short stacking energy: -545.971 Base-Backbone interact. energy: -1.390 local terms energy: -551.966606 where: bonds (distance) C4'-P energy: -91.084 bonds (distance) P-C4' energy: -92.006 flat angles C4'-P-C4' energy: -118.784 flat angles P-C4'-P energy: -80.952 tors. eta vs tors. theta energy: -169.140 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: 8 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1830.002863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.002863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.002863 (E_RNA) where: Base-Base interactions energy: -1305.904 where: short stacking energy: -518.012 Base-Backbone interact. energy: 0.197 local terms energy: -524.295639 where: bonds (distance) C4'-P energy: -94.007 bonds (distance) P-C4' energy: -76.003 flat angles C4'-P-C4' energy: -114.139 flat angles P-C4'-P energy: -84.040 tors. eta vs tors. theta energy: -156.106 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: 3, replica: 3 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1738.864360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.864360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.864360 (E_RNA) where: Base-Base interactions energy: -1233.254 where: short stacking energy: -505.553 Base-Backbone interact. energy: -0.111 local terms energy: -505.499438 where: bonds (distance) C4'-P energy: -82.062 bonds (distance) P-C4' energy: -94.562 flat angles C4'-P-C4' energy: -100.645 flat angles P-C4'-P energy: -70.957 tors. eta vs tors. theta energy: -157.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1650.526466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.526466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.526466 (E_RNA) where: Base-Base interactions energy: -1151.576 where: short stacking energy: -474.142 Base-Backbone interact. energy: -1.557 local terms energy: -497.393654 where: bonds (distance) C4'-P energy: -81.778 bonds (distance) P-C4' energy: -86.954 flat angles C4'-P-C4' energy: -105.326 flat angles P-C4'-P energy: -69.733 tors. eta vs tors. theta energy: -153.603 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: 6 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1579.616602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.616602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.616602 (E_RNA) where: Base-Base interactions energy: -1095.394 where: short stacking energy: -450.877 Base-Backbone interact. energy: -1.799 local terms energy: -482.423656 where: bonds (distance) C4'-P energy: -87.574 bonds (distance) P-C4' energy: -89.558 flat angles C4'-P-C4' energy: -99.869 flat angles P-C4'-P energy: -64.495 tors. eta vs tors. theta energy: -140.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1501.833811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.833811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.833811 (E_RNA) where: Base-Base interactions energy: -1031.107 where: short stacking energy: -445.561 Base-Backbone interact. energy: 0.323 local terms energy: -471.050313 where: bonds (distance) C4'-P energy: -92.802 bonds (distance) P-C4' energy: -65.079 flat angles C4'-P-C4' energy: -102.196 flat angles P-C4'-P energy: -70.943 tors. eta vs tors. theta energy: -140.030 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: 1 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1334.268132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.268132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.268132 (E_RNA) where: Base-Base interactions energy: -891.247 where: short stacking energy: -358.751 Base-Backbone interact. energy: 1.900 local terms energy: -444.920783 where: bonds (distance) C4'-P energy: -91.396 bonds (distance) P-C4' energy: -99.708 flat angles C4'-P-C4' energy: -92.973 flat angles P-C4'-P energy: -62.748 tors. eta vs tors. theta energy: -98.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1238.185439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.185439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.185439 (E_RNA) where: Base-Base interactions energy: -849.571 where: short stacking energy: -364.512 Base-Backbone interact. energy: 2.683 local terms energy: -391.297003 where: bonds (distance) C4'-P energy: -67.401 bonds (distance) P-C4' energy: -72.971 flat angles C4'-P-C4' energy: -84.869 flat angles P-C4'-P energy: -56.199 tors. eta vs tors. theta energy: -109.857 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: 9 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -1089.491353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.491353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.491353 (E_RNA) where: Base-Base interactions energy: -730.642 where: short stacking energy: -325.915 Base-Backbone interact. energy: 3.096 local terms energy: -361.945801 where: bonds (distance) C4'-P energy: -68.138 bonds (distance) P-C4' energy: -74.959 flat angles C4'-P-C4' energy: -92.590 flat angles P-C4'-P energy: -40.116 tors. eta vs tors. theta energy: -86.143 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: 367 Temperature: 1.350000 Total energy: -863.496026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.496026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.496026 (E_RNA) where: Base-Base interactions energy: -551.829 where: short stacking energy: -253.197 Base-Backbone interact. energy: -1.531 local terms energy: -310.136699 where: bonds (distance) C4'-P energy: -88.477 bonds (distance) P-C4' energy: -69.437 flat angles C4'-P-C4' energy: -64.539 flat angles P-C4'-P energy: -38.886 tors. eta vs tors. theta energy: -48.797 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: 2 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1887.044363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.044363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.044363 (E_RNA) where: Base-Base interactions energy: -1344.222 where: short stacking energy: -537.407 Base-Backbone interact. energy: -1.057 local terms energy: -541.765304 where: bonds (distance) C4'-P energy: -93.701 bonds (distance) P-C4' energy: -92.754 flat angles C4'-P-C4' energy: -101.304 flat angles P-C4'-P energy: -89.840 tors. eta vs tors. theta energy: -164.166 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: 8 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1829.851161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.851161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.851161 (E_RNA) where: Base-Base interactions energy: -1295.139 where: short stacking energy: -522.692 Base-Backbone interact. energy: -0.169 local terms energy: -534.543542 where: bonds (distance) C4'-P energy: -82.190 bonds (distance) P-C4' energy: -89.363 flat angles C4'-P-C4' energy: -115.893 flat angles P-C4'-P energy: -79.800 tors. eta vs tors. theta energy: -167.297 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: 3 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1709.493940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.493940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.493940 (E_RNA) where: Base-Base interactions energy: -1219.283 where: short stacking energy: -485.891 Base-Backbone interact. energy: -0.660 local terms energy: -489.551054 where: bonds (distance) C4'-P energy: -81.089 bonds (distance) P-C4' energy: -79.476 flat angles C4'-P-C4' energy: -107.600 flat angles P-C4'-P energy: -73.906 tors. eta vs tors. theta energy: -147.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1661.314242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.314242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.314242 (E_RNA) where: Base-Base interactions energy: -1176.696 where: short stacking energy: -493.675 Base-Backbone interact. energy: -3.138 local terms energy: -481.480778 where: bonds (distance) C4'-P energy: -70.099 bonds (distance) P-C4' energy: -80.159 flat angles C4'-P-C4' energy: -96.615 flat angles P-C4'-P energy: -76.253 tors. eta vs tors. theta energy: -158.355 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: 5, replica: 6 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1568.878615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.878615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.878615 (E_RNA) where: Base-Base interactions energy: -1107.236 where: short stacking energy: -454.209 Base-Backbone interact. energy: -0.167 local terms energy: -461.475765 where: bonds (distance) C4'-P energy: -79.171 bonds (distance) P-C4' energy: -88.745 flat angles C4'-P-C4' energy: -101.182 flat angles P-C4'-P energy: -70.165 tors. eta vs tors. theta energy: -122.213 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: 368 Temperature: 1.150000 Total energy: -1506.014011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.014011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.014011 (E_RNA) where: Base-Base interactions energy: -1041.009 where: short stacking energy: -428.676 Base-Backbone interact. energy: -1.037 local terms energy: -463.968386 where: bonds (distance) C4'-P energy: -76.105 bonds (distance) P-C4' energy: -89.037 flat angles C4'-P-C4' energy: -103.183 flat angles P-C4'-P energy: -59.376 tors. eta vs tors. theta energy: -136.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1332.884566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.884566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.884566 (E_RNA) where: Base-Base interactions energy: -916.871 where: short stacking energy: -380.798 Base-Backbone interact. energy: 0.694 local terms energy: -416.707461 where: bonds (distance) C4'-P energy: -84.258 bonds (distance) P-C4' energy: -71.066 flat angles C4'-P-C4' energy: -87.757 flat angles P-C4'-P energy: -69.077 tors. eta vs tors. theta energy: -104.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1228.294701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.294701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.294701 (E_RNA) where: Base-Base interactions energy: -822.811 where: short stacking energy: -349.714 Base-Backbone interact. energy: -1.764 local terms energy: -403.718904 where: bonds (distance) C4'-P energy: -89.001 bonds (distance) P-C4' energy: -74.135 flat angles C4'-P-C4' energy: -94.439 flat angles P-C4'-P energy: -59.062 tors. eta vs tors. theta energy: -87.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1104.604026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.604026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.604026 (E_RNA) where: Base-Base interactions energy: -732.520 where: short stacking energy: -312.230 Base-Backbone interact. energy: 0.014 local terms energy: -372.097839 where: bonds (distance) C4'-P energy: -76.963 bonds (distance) P-C4' energy: -75.633 flat angles C4'-P-C4' energy: -91.126 flat angles P-C4'-P energy: -54.507 tors. eta vs tors. theta energy: -73.868 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: 10 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -892.568494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.568494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.568494 (E_RNA) where: Base-Base interactions energy: -576.481 where: short stacking energy: -245.834 Base-Backbone interact. energy: -0.902 local terms energy: -315.184849 where: bonds (distance) C4'-P energy: -77.550 bonds (distance) P-C4' energy: -80.181 flat angles C4'-P-C4' energy: -65.212 flat angles P-C4'-P energy: -38.951 tors. eta vs tors. theta energy: -53.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1901.423018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.423018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.423018 (E_RNA) where: Base-Base interactions energy: -1355.417 where: short stacking energy: -538.645 Base-Backbone interact. energy: -1.307 local terms energy: -544.698973 where: bonds (distance) C4'-P energy: -106.304 bonds (distance) P-C4' energy: -87.045 flat angles C4'-P-C4' energy: -103.746 flat angles P-C4'-P energy: -82.721 tors. eta vs tors. theta energy: -164.883 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: 8 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1848.732013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.732013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.732013 (E_RNA) where: Base-Base interactions energy: -1305.075 where: short stacking energy: -541.146 Base-Backbone interact. energy: -0.925 local terms energy: -542.732490 where: bonds (distance) C4'-P energy: -80.532 bonds (distance) P-C4' energy: -95.556 flat angles C4'-P-C4' energy: -121.099 flat angles P-C4'-P energy: -75.241 tors. eta vs tors. theta energy: -170.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1714.028959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.028959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.028959 (E_RNA) where: Base-Base interactions energy: -1200.315 where: short stacking energy: -478.173 Base-Backbone interact. energy: -1.663 local terms energy: -512.051021 where: bonds (distance) C4'-P energy: -96.491 bonds (distance) P-C4' energy: -92.188 flat angles C4'-P-C4' energy: -108.000 flat angles P-C4'-P energy: -72.123 tors. eta vs tors. theta energy: -143.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1615.304684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.304684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.304684 (E_RNA) where: Base-Base interactions energy: -1128.582 where: short stacking energy: -455.744 Base-Backbone interact. energy: -1.382 local terms energy: -485.341331 where: bonds (distance) C4'-P energy: -87.920 bonds (distance) P-C4' energy: -74.434 flat angles C4'-P-C4' energy: -100.854 flat angles P-C4'-P energy: -76.610 tors. eta vs tors. theta energy: -145.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1620.602987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.602987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.602987 (E_RNA) where: Base-Base interactions energy: -1126.051 where: short stacking energy: -449.887 Base-Backbone interact. energy: -1.898 local terms energy: -492.653997 where: bonds (distance) C4'-P energy: -77.760 bonds (distance) P-C4' energy: -88.479 flat angles C4'-P-C4' energy: -105.345 flat angles P-C4'-P energy: -76.762 tors. eta vs tors. theta energy: -144.307 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: 4 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1486.992366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.992366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.992366 (E_RNA) where: Base-Base interactions energy: -1035.730 where: short stacking energy: -437.673 Base-Backbone interact. energy: -1.179 local terms energy: -450.083897 where: bonds (distance) C4'-P energy: -77.822 bonds (distance) P-C4' energy: -89.420 flat angles C4'-P-C4' energy: -84.657 flat angles P-C4'-P energy: -62.901 tors. eta vs tors. theta energy: -135.284 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: 1 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1327.297429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.297429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.297429 (E_RNA) where: Base-Base interactions energy: -909.909 where: short stacking energy: -372.779 Base-Backbone interact. energy: 1.701 local terms energy: -419.089963 where: bonds (distance) C4'-P energy: -84.304 bonds (distance) P-C4' energy: -73.171 flat angles C4'-P-C4' energy: -99.375 flat angles P-C4'-P energy: -63.935 tors. eta vs tors. theta energy: -98.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1187.682689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.682689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.682689 (E_RNA) where: Base-Base interactions energy: -780.286 where: short stacking energy: -327.917 Base-Backbone interact. energy: -1.340 local terms energy: -406.056580 where: bonds (distance) C4'-P energy: -76.686 bonds (distance) P-C4' energy: -94.088 flat angles C4'-P-C4' energy: -96.103 flat angles P-C4'-P energy: -55.595 tors. eta vs tors. theta energy: -83.585 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: 5 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -1200.814319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.814319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.814319 (E_RNA) where: Base-Base interactions energy: -808.930 where: short stacking energy: -321.612 Base-Backbone interact. energy: 2.008 local terms energy: -393.891978 where: bonds (distance) C4'-P energy: -75.533 bonds (distance) P-C4' energy: -89.488 flat angles C4'-P-C4' energy: -81.948 flat angles P-C4'-P energy: -57.114 tors. eta vs tors. theta energy: -89.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -892.205004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.205004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.205004 (E_RNA) where: Base-Base interactions energy: -582.691 where: short stacking energy: -242.620 Base-Backbone interact. energy: 0.361 local terms energy: -309.874833 where: bonds (distance) C4'-P energy: -77.519 bonds (distance) P-C4' energy: -60.472 flat angles C4'-P-C4' energy: -83.222 flat angles P-C4'-P energy: -50.555 tors. eta vs tors. theta energy: -38.107 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: 1, replica: 2 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1909.956595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.956595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.956595 (E_RNA) where: Base-Base interactions energy: -1346.532 where: short stacking energy: -544.365 Base-Backbone interact. energy: 0.625 local terms energy: -564.049702 where: bonds (distance) C4'-P energy: -95.481 bonds (distance) P-C4' energy: -107.398 flat angles C4'-P-C4' energy: -115.992 flat angles P-C4'-P energy: -77.442 tors. eta vs tors. theta energy: -167.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1810.418383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.418383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.418383 (E_RNA) where: Base-Base interactions energy: -1302.188 where: short stacking energy: -531.482 Base-Backbone interact. energy: -0.587 local terms energy: -507.643239 where: bonds (distance) C4'-P energy: -79.228 bonds (distance) P-C4' energy: -88.528 flat angles C4'-P-C4' energy: -105.978 flat angles P-C4'-P energy: -75.406 tors. eta vs tors. theta energy: -158.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1753.156811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.156811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.156811 (E_RNA) where: Base-Base interactions energy: -1215.203 where: short stacking energy: -493.897 Base-Backbone interact. energy: 0.109 local terms energy: -538.062456 where: bonds (distance) C4'-P energy: -98.132 bonds (distance) P-C4' energy: -94.776 flat angles C4'-P-C4' energy: -108.688 flat angles P-C4'-P energy: -86.144 tors. eta vs tors. theta energy: -150.323 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: 4, replica: 6 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1609.482012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.482012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.482012 (E_RNA) where: Base-Base interactions energy: -1137.365 where: short stacking energy: -471.056 Base-Backbone interact. energy: -0.519 local terms energy: -471.598090 where: bonds (distance) C4'-P energy: -87.653 bonds (distance) P-C4' energy: -82.646 flat angles C4'-P-C4' energy: -97.651 flat angles P-C4'-P energy: -65.080 tors. eta vs tors. theta energy: -138.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1616.273980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.273980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.273980 (E_RNA) where: Base-Base interactions energy: -1128.919 where: short stacking energy: -457.434 Base-Backbone interact. energy: -2.474 local terms energy: -484.881692 where: bonds (distance) C4'-P energy: -72.558 bonds (distance) P-C4' energy: -90.462 flat angles C4'-P-C4' energy: -107.893 flat angles P-C4'-P energy: -68.167 tors. eta vs tors. theta energy: -145.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1482.279098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.279098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.279098 (E_RNA) where: Base-Base interactions energy: -1029.971 where: short stacking energy: -431.297 Base-Backbone interact. energy: -0.190 local terms energy: -452.118381 where: bonds (distance) C4'-P energy: -86.333 bonds (distance) P-C4' energy: -82.990 flat angles C4'-P-C4' energy: -93.217 flat angles P-C4'-P energy: -64.911 tors. eta vs tors. theta energy: -124.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1315.376933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.376933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.376933 (E_RNA) where: Base-Base interactions energy: -942.226 where: short stacking energy: -378.332 Base-Backbone interact. energy: 0.222 local terms energy: -373.373462 where: bonds (distance) C4'-P energy: -54.301 bonds (distance) P-C4' energy: -78.303 flat angles C4'-P-C4' energy: -88.004 flat angles P-C4'-P energy: -58.101 tors. eta vs tors. theta energy: -94.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1166.533494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.533494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.533494 (E_RNA) where: Base-Base interactions energy: -769.220 where: short stacking energy: -352.519 Base-Backbone interact. energy: -1.730 local terms energy: -395.582763 where: bonds (distance) C4'-P energy: -85.158 bonds (distance) P-C4' energy: -92.205 flat angles C4'-P-C4' energy: -68.836 flat angles P-C4'-P energy: -53.618 tors. eta vs tors. theta energy: -95.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1179.527230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.527230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.527230 (E_RNA) where: Base-Base interactions energy: -783.160 where: short stacking energy: -317.876 Base-Backbone interact. energy: -1.710 local terms energy: -394.658052 where: bonds (distance) C4'-P energy: -74.519 bonds (distance) P-C4' energy: -74.906 flat angles C4'-P-C4' energy: -97.735 flat angles P-C4'-P energy: -63.552 tors. eta vs tors. theta energy: -83.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -965.762003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.762003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.762003 (E_RNA) where: Base-Base interactions energy: -635.999 where: short stacking energy: -280.227 Base-Backbone interact. energy: 1.764 local terms energy: -331.527186 where: bonds (distance) C4'-P energy: -84.132 bonds (distance) P-C4' energy: -78.902 flat angles C4'-P-C4' energy: -73.904 flat angles P-C4'-P energy: -50.918 tors. eta vs tors. theta energy: -43.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1909.687782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.687782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.687782 (E_RNA) where: Base-Base interactions energy: -1342.980 where: short stacking energy: -546.557 Base-Backbone interact. energy: 0.177 local terms energy: -566.884492 where: bonds (distance) C4'-P energy: -110.148 bonds (distance) P-C4' energy: -93.340 flat angles C4'-P-C4' energy: -116.253 flat angles P-C4'-P energy: -83.387 tors. eta vs tors. theta energy: -163.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1831.244134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.244134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.244134 (E_RNA) where: Base-Base interactions energy: -1283.388 where: short stacking energy: -521.496 Base-Backbone interact. energy: -1.186 local terms energy: -546.670695 where: bonds (distance) C4'-P energy: -88.330 bonds (distance) P-C4' energy: -98.716 flat angles C4'-P-C4' energy: -113.778 flat angles P-C4'-P energy: -81.540 tors. eta vs tors. theta energy: -164.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1737.363731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.363731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.363731 (E_RNA) where: Base-Base interactions energy: -1207.007 where: short stacking energy: -487.041 Base-Backbone interact. energy: -0.813 local terms energy: -529.543879 where: bonds (distance) C4'-P energy: -93.878 bonds (distance) P-C4' energy: -95.259 flat angles C4'-P-C4' energy: -112.720 flat angles P-C4'-P energy: -74.858 tors. eta vs tors. theta energy: -152.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1622.905484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.905484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.905484 (E_RNA) where: Base-Base interactions energy: -1122.707 where: short stacking energy: -473.421 Base-Backbone interact. energy: -1.061 local terms energy: -499.137747 where: bonds (distance) C4'-P energy: -80.722 bonds (distance) P-C4' energy: -102.438 flat angles C4'-P-C4' energy: -102.263 flat angles P-C4'-P energy: -63.977 tors. eta vs tors. theta energy: -149.737 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: 7 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1647.768002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.768002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.768002 (E_RNA) where: Base-Base interactions energy: -1140.617 where: short stacking energy: -467.410 Base-Backbone interact. energy: -2.307 local terms energy: -504.844085 where: bonds (distance) C4'-P energy: -78.225 bonds (distance) P-C4' energy: -83.467 flat angles C4'-P-C4' energy: -106.339 flat angles P-C4'-P energy: -83.842 tors. eta vs tors. theta energy: -152.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1487.379982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.379982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.379982 (E_RNA) where: Base-Base interactions energy: -1027.938 where: short stacking energy: -437.104 Base-Backbone interact. energy: -0.331 local terms energy: -459.111200 where: bonds (distance) C4'-P energy: -79.900 bonds (distance) P-C4' energy: -77.313 flat angles C4'-P-C4' energy: -101.449 flat angles P-C4'-P energy: -64.272 tors. eta vs tors. theta energy: -136.178 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: 7, replica: 1 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1305.454719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.454719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.454719 (E_RNA) where: Base-Base interactions energy: -882.073 where: short stacking energy: -368.205 Base-Backbone interact. energy: -1.664 local terms energy: -421.717852 where: bonds (distance) C4'-P energy: -80.226 bonds (distance) P-C4' energy: -85.742 flat angles C4'-P-C4' energy: -89.112 flat angles P-C4'-P energy: -64.633 tors. eta vs tors. theta energy: -102.005 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: 5 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1221.861635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.861635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.861635 (E_RNA) where: Base-Base interactions energy: -818.163 where: short stacking energy: -336.037 Base-Backbone interact. energy: -5.476 local terms energy: -398.222271 where: bonds (distance) C4'-P energy: -87.048 bonds (distance) P-C4' energy: -85.497 flat angles C4'-P-C4' energy: -88.844 flat angles P-C4'-P energy: -59.982 tors. eta vs tors. theta energy: -76.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -1165.062483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.062483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.062483 (E_RNA) where: Base-Base interactions energy: -775.044 where: short stacking energy: -314.173 Base-Backbone interact. energy: -0.649 local terms energy: -389.369837 where: bonds (distance) C4'-P energy: -83.031 bonds (distance) P-C4' energy: -82.445 flat angles C4'-P-C4' energy: -79.914 flat angles P-C4'-P energy: -54.013 tors. eta vs tors. theta energy: -89.967 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: 10 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -934.524570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.524570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.524570 (E_RNA) where: Base-Base interactions energy: -597.819 where: short stacking energy: -275.657 Base-Backbone interact. energy: -0.434 local terms energy: -336.271630 where: bonds (distance) C4'-P energy: -66.186 bonds (distance) P-C4' energy: -68.073 flat angles C4'-P-C4' energy: -91.797 flat angles P-C4'-P energy: -55.554 tors. eta vs tors. theta energy: -54.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1923.922781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.922781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.922781 (E_RNA) where: Base-Base interactions energy: -1361.893 where: short stacking energy: -561.391 Base-Backbone interact. energy: -0.697 local terms energy: -561.333134 where: bonds (distance) C4'-P energy: -98.783 bonds (distance) P-C4' energy: -102.772 flat angles C4'-P-C4' energy: -115.784 flat angles P-C4'-P energy: -76.261 tors. eta vs tors. theta energy: -167.733 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: 2, replica: 8 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1803.937252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.937252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.937252 (E_RNA) where: Base-Base interactions energy: -1268.638 where: short stacking energy: -490.699 Base-Backbone interact. energy: -0.584 local terms energy: -534.714993 where: bonds (distance) C4'-P energy: -100.140 bonds (distance) P-C4' energy: -86.843 flat angles C4'-P-C4' energy: -111.542 flat angles P-C4'-P energy: -83.863 tors. eta vs tors. theta energy: -152.328 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: 3, replica: 3 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1722.727412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.727412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.727412 (E_RNA) where: Base-Base interactions energy: -1225.637 where: short stacking energy: -494.267 Base-Backbone interact. energy: 3.899 local terms energy: -500.989345 where: bonds (distance) C4'-P energy: -89.546 bonds (distance) P-C4' energy: -86.535 flat angles C4'-P-C4' energy: -107.245 flat angles P-C4'-P energy: -77.172 tors. eta vs tors. theta energy: -140.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1651.276119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.276119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.276119 (E_RNA) where: Base-Base interactions energy: -1162.917 where: short stacking energy: -473.125 Base-Backbone interact. energy: -0.451 local terms energy: -487.908844 where: bonds (distance) C4'-P energy: -92.997 bonds (distance) P-C4' energy: -86.431 flat angles C4'-P-C4' energy: -104.808 flat angles P-C4'-P energy: -68.369 tors. eta vs tors. theta energy: -135.305 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: 372 Temperature: 1.100000 Total energy: -1610.484652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.484652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.484652 (E_RNA) where: Base-Base interactions energy: -1142.363 where: short stacking energy: -460.451 Base-Backbone interact. energy: -2.164 local terms energy: -465.957571 where: bonds (distance) C4'-P energy: -71.903 bonds (distance) P-C4' energy: -83.487 flat angles C4'-P-C4' energy: -93.765 flat angles P-C4'-P energy: -71.541 tors. eta vs tors. theta energy: -145.262 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: 6, replica: 4 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1512.391804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.391804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.391804 (E_RNA) where: Base-Base interactions energy: -1042.996 where: short stacking energy: -423.567 Base-Backbone interact. energy: 0.634 local terms energy: -470.029619 where: bonds (distance) C4'-P energy: -69.627 bonds (distance) P-C4' energy: -90.234 flat angles C4'-P-C4' energy: -102.511 flat angles P-C4'-P energy: -73.690 tors. eta vs tors. theta energy: -133.967 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: 1 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1355.086086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.086086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.086086 (E_RNA) where: Base-Base interactions energy: -917.794 where: short stacking energy: -382.260 Base-Backbone interact. energy: -1.632 local terms energy: -435.660072 where: bonds (distance) C4'-P energy: -88.818 bonds (distance) P-C4' energy: -83.247 flat angles C4'-P-C4' energy: -90.543 flat angles P-C4'-P energy: -60.883 tors. eta vs tors. theta energy: -112.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1242.514457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.514457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.514457 (E_RNA) where: Base-Base interactions energy: -855.118 where: short stacking energy: -356.372 Base-Backbone interact. energy: 0.639 local terms energy: -388.034605 where: bonds (distance) C4'-P energy: -64.479 bonds (distance) P-C4' energy: -85.114 flat angles C4'-P-C4' energy: -88.855 flat angles P-C4'-P energy: -53.572 tors. eta vs tors. theta energy: -96.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1179.890809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.890809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.890809 (E_RNA) where: Base-Base interactions energy: -801.743 where: short stacking energy: -332.514 Base-Backbone interact. energy: -1.216 local terms energy: -376.932475 where: bonds (distance) C4'-P energy: -84.922 bonds (distance) P-C4' energy: -72.455 flat angles C4'-P-C4' energy: -85.784 flat angles P-C4'-P energy: -41.414 tors. eta vs tors. theta energy: -92.358 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: 10 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -897.216650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.216650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.216650 (E_RNA) where: Base-Base interactions energy: -574.520 where: short stacking energy: -242.998 Base-Backbone interact. energy: -1.893 local terms energy: -320.803342 where: bonds (distance) C4'-P energy: -74.246 bonds (distance) P-C4' energy: -69.900 flat angles C4'-P-C4' energy: -73.605 flat angles P-C4'-P energy: -48.261 tors. eta vs tors. theta energy: -54.792 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: 2 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1894.455451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.455451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.455451 (E_RNA) where: Base-Base interactions energy: -1348.533 where: short stacking energy: -553.064 Base-Backbone interact. energy: -0.834 local terms energy: -545.088478 where: bonds (distance) C4'-P energy: -88.855 bonds (distance) P-C4' energy: -94.903 flat angles C4'-P-C4' energy: -109.255 flat angles P-C4'-P energy: -78.418 tors. eta vs tors. theta energy: -173.657 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: 8 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1826.406632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.406632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.406632 (E_RNA) where: Base-Base interactions energy: -1285.051 where: short stacking energy: -498.357 Base-Backbone interact. energy: 0.305 local terms energy: -541.660660 where: bonds (distance) C4'-P energy: -95.293 bonds (distance) P-C4' energy: -95.446 flat angles C4'-P-C4' energy: -112.102 flat angles P-C4'-P energy: -77.115 tors. eta vs tors. theta energy: -161.705 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: 3 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1724.683358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.683358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.683358 (E_RNA) where: Base-Base interactions energy: -1198.269 where: short stacking energy: -495.023 Base-Backbone interact. energy: -0.002 local terms energy: -526.412153 where: bonds (distance) C4'-P energy: -87.999 bonds (distance) P-C4' energy: -97.295 flat angles C4'-P-C4' energy: -112.810 flat angles P-C4'-P energy: -77.299 tors. eta vs tors. theta energy: -151.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1609.577947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.577947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.577947 (E_RNA) where: Base-Base interactions energy: -1123.716 where: short stacking energy: -473.132 Base-Backbone interact. energy: -0.355 local terms energy: -485.506237 where: bonds (distance) C4'-P energy: -75.160 bonds (distance) P-C4' energy: -89.682 flat angles C4'-P-C4' energy: -104.002 flat angles P-C4'-P energy: -72.829 tors. eta vs tors. theta energy: -143.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -1582.884308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.884308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.884308 (E_RNA) where: Base-Base interactions energy: -1092.357 where: short stacking energy: -448.279 Base-Backbone interact. energy: -2.697 local terms energy: -487.830718 where: bonds (distance) C4'-P energy: -98.071 bonds (distance) P-C4' energy: -85.225 flat angles C4'-P-C4' energy: -95.836 flat angles P-C4'-P energy: -75.443 tors. eta vs tors. theta energy: -133.256 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: 4 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1482.844628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.844628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.844628 (E_RNA) where: Base-Base interactions energy: -1038.962 where: short stacking energy: -428.651 Base-Backbone interact. energy: 0.463 local terms energy: -444.345625 where: bonds (distance) C4'-P energy: -79.081 bonds (distance) P-C4' energy: -75.920 flat angles C4'-P-C4' energy: -91.837 flat angles P-C4'-P energy: -63.102 tors. eta vs tors. theta energy: -134.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1348.467238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.467238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.467238 (E_RNA) where: Base-Base interactions energy: -945.032 where: short stacking energy: -375.469 Base-Backbone interact. energy: -0.160 local terms energy: -403.275894 where: bonds (distance) C4'-P energy: -68.524 bonds (distance) P-C4' energy: -85.026 flat angles C4'-P-C4' energy: -85.977 flat angles P-C4'-P energy: -51.754 tors. eta vs tors. theta energy: -111.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1218.532677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.532677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.532677 (E_RNA) where: Base-Base interactions energy: -823.854 where: short stacking energy: -336.947 Base-Backbone interact. energy: 0.511 local terms energy: -395.189474 where: bonds (distance) C4'-P energy: -86.969 bonds (distance) P-C4' energy: -89.523 flat angles C4'-P-C4' energy: -82.559 flat angles P-C4'-P energy: -48.544 tors. eta vs tors. theta energy: -87.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -1187.657607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.657607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.657607 (E_RNA) where: Base-Base interactions energy: -813.727 where: short stacking energy: -337.511 Base-Backbone interact. energy: -0.246 local terms energy: -373.684486 where: bonds (distance) C4'-P energy: -68.584 bonds (distance) P-C4' energy: -88.909 flat angles C4'-P-C4' energy: -80.109 flat angles P-C4'-P energy: -42.523 tors. eta vs tors. theta energy: -93.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -875.173339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.173339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.173339 (E_RNA) where: Base-Base interactions energy: -572.492 where: short stacking energy: -248.490 Base-Backbone interact. energy: 3.857 local terms energy: -306.537446 where: bonds (distance) C4'-P energy: -65.244 bonds (distance) P-C4' energy: -79.477 flat angles C4'-P-C4' energy: -76.681 flat angles P-C4'-P energy: -49.076 tors. eta vs tors. theta energy: -36.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1906.949970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.949970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.949970 (E_RNA) where: Base-Base interactions energy: -1337.021 where: short stacking energy: -531.492 Base-Backbone interact. energy: -1.207 local terms energy: -568.722082 where: bonds (distance) C4'-P energy: -100.115 bonds (distance) P-C4' energy: -103.732 flat angles C4'-P-C4' energy: -110.746 flat angles P-C4'-P energy: -83.884 tors. eta vs tors. theta energy: -170.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1814.021203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.021203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.021203 (E_RNA) where: Base-Base interactions energy: -1287.426 where: short stacking energy: -528.527 Base-Backbone interact. energy: -1.891 local terms energy: -524.704534 where: bonds (distance) C4'-P energy: -88.447 bonds (distance) P-C4' energy: -101.718 flat angles C4'-P-C4' energy: -109.629 flat angles P-C4'-P energy: -67.581 tors. eta vs tors. theta energy: -157.329 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: 3 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1722.385879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.385879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.385879 (E_RNA) where: Base-Base interactions energy: -1206.802 where: short stacking energy: -487.361 Base-Backbone interact. energy: 7.720 local terms energy: -523.303512 where: bonds (distance) C4'-P energy: -92.543 bonds (distance) P-C4' energy: -92.229 flat angles C4'-P-C4' energy: -115.562 flat angles P-C4'-P energy: -71.469 tors. eta vs tors. theta energy: -151.500 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: 374 Temperature: 1.050000 Total energy: -1623.126996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.126996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.126996 (E_RNA) where: Base-Base interactions energy: -1123.371 where: short stacking energy: -464.150 Base-Backbone interact. energy: -3.000 local terms energy: -496.756073 where: bonds (distance) C4'-P energy: -97.377 bonds (distance) P-C4' energy: -90.609 flat angles C4'-P-C4' energy: -110.775 flat angles P-C4'-P energy: -63.144 tors. eta vs tors. theta energy: -134.851 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: 374 Temperature: 1.100000 Total energy: -1536.199873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.199873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.199873 (E_RNA) where: Base-Base interactions energy: -1056.317 where: short stacking energy: -424.910 Base-Backbone interact. energy: -3.112 local terms energy: -476.770969 where: bonds (distance) C4'-P energy: -84.597 bonds (distance) P-C4' energy: -83.962 flat angles C4'-P-C4' energy: -109.060 flat angles P-C4'-P energy: -62.964 tors. eta vs tors. theta energy: -136.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1483.673142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.673142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.673142 (E_RNA) where: Base-Base interactions energy: -1028.361 where: short stacking energy: -434.099 Base-Backbone interact. energy: 1.043 local terms energy: -456.354401 where: bonds (distance) C4'-P energy: -76.186 bonds (distance) P-C4' energy: -71.384 flat angles C4'-P-C4' energy: -104.287 flat angles P-C4'-P energy: -67.905 tors. eta vs tors. theta energy: -136.591 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: 374 Temperature: 1.200000 Total energy: -1323.535080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.535080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.535080 (E_RNA) where: Base-Base interactions energy: -882.722 where: short stacking energy: -362.411 Base-Backbone interact. energy: -0.851 local terms energy: -439.962518 where: bonds (distance) C4'-P energy: -92.977 bonds (distance) P-C4' energy: -91.789 flat angles C4'-P-C4' energy: -91.055 flat angles P-C4'-P energy: -59.785 tors. eta vs tors. theta energy: -104.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1199.401323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.401323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.401323 (E_RNA) where: Base-Base interactions energy: -816.662 where: short stacking energy: -337.973 Base-Backbone interact. energy: 1.602 local terms energy: -384.341526 where: bonds (distance) C4'-P energy: -76.158 bonds (distance) P-C4' energy: -69.997 flat angles C4'-P-C4' energy: -88.391 flat angles P-C4'-P energy: -62.894 tors. eta vs tors. theta energy: -86.902 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: 5 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -1192.786075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.786075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.786075 (E_RNA) where: Base-Base interactions energy: -803.691 where: short stacking energy: -329.800 Base-Backbone interact. energy: -0.500 local terms energy: -388.594716 where: bonds (distance) C4'-P energy: -72.986 bonds (distance) P-C4' energy: -87.620 flat angles C4'-P-C4' energy: -83.920 flat angles P-C4'-P energy: -60.344 tors. eta vs tors. theta energy: -83.725 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: 10, replica: 10 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -905.556378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.556378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.556378 (E_RNA) where: Base-Base interactions energy: -585.171 where: short stacking energy: -241.938 Base-Backbone interact. energy: 0.948 local terms energy: -321.333514 where: bonds (distance) C4'-P energy: -72.703 bonds (distance) P-C4' energy: -89.498 flat angles C4'-P-C4' energy: -65.615 flat angles P-C4'-P energy: -45.923 tors. eta vs tors. theta energy: -47.594 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: 1, replica: 2 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1906.220553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.220553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.220553 (E_RNA) where: Base-Base interactions energy: -1346.479 where: short stacking energy: -544.799 Base-Backbone interact. energy: -0.856 local terms energy: -558.885977 where: bonds (distance) C4'-P energy: -96.693 bonds (distance) P-C4' energy: -100.588 flat angles C4'-P-C4' energy: -112.097 flat angles P-C4'-P energy: -82.820 tors. eta vs tors. theta energy: -166.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1821.738562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.738562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.738562 (E_RNA) where: Base-Base interactions energy: -1296.487 where: short stacking energy: -512.846 Base-Backbone interact. energy: -1.742 local terms energy: -523.509639 where: bonds (distance) C4'-P energy: -91.037 bonds (distance) P-C4' energy: -91.277 flat angles C4'-P-C4' energy: -113.020 flat angles P-C4'-P energy: -75.194 tors. eta vs tors. theta energy: -152.982 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: 3, replica: 3 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1711.836219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.836219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.836219 (E_RNA) where: Base-Base interactions energy: -1209.986 where: short stacking energy: -487.155 Base-Backbone interact. energy: 2.774 local terms energy: -504.623591 where: bonds (distance) C4'-P energy: -84.558 bonds (distance) P-C4' energy: -96.069 flat angles C4'-P-C4' energy: -110.998 flat angles P-C4'-P energy: -68.278 tors. eta vs tors. theta energy: -144.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1628.985226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.985226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.985226 (E_RNA) where: Base-Base interactions energy: -1143.398 where: short stacking energy: -461.954 Base-Backbone interact. energy: -3.208 local terms energy: -482.379147 where: bonds (distance) C4'-P energy: -76.388 bonds (distance) P-C4' energy: -94.085 flat angles C4'-P-C4' energy: -105.755 flat angles P-C4'-P energy: -74.268 tors. eta vs tors. theta energy: -131.882 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: 7 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1555.442241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.442241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.442241 (E_RNA) where: Base-Base interactions energy: -1078.102 where: short stacking energy: -458.198 Base-Backbone interact. energy: 4.996 local terms energy: -482.335541 where: bonds (distance) C4'-P energy: -80.169 bonds (distance) P-C4' energy: -91.082 flat angles C4'-P-C4' energy: -95.889 flat angles P-C4'-P energy: -79.038 tors. eta vs tors. theta energy: -136.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1482.164081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.164081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.164081 (E_RNA) where: Base-Base interactions energy: -1007.869 where: short stacking energy: -413.210 Base-Backbone interact. energy: 1.021 local terms energy: -475.315999 where: bonds (distance) C4'-P energy: -90.184 bonds (distance) P-C4' energy: -98.444 flat angles C4'-P-C4' energy: -100.770 flat angles P-C4'-P energy: -63.214 tors. eta vs tors. theta energy: -122.703 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: 1 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1302.029137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.029137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.029137 (E_RNA) where: Base-Base interactions energy: -888.141 where: short stacking energy: -368.876 Base-Backbone interact. energy: -1.161 local terms energy: -412.726622 where: bonds (distance) C4'-P energy: -87.017 bonds (distance) P-C4' energy: -89.246 flat angles C4'-P-C4' energy: -82.142 flat angles P-C4'-P energy: -43.851 tors. eta vs tors. theta energy: -110.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1207.328700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.328700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.328700 (E_RNA) where: Base-Base interactions energy: -806.691 where: short stacking energy: -334.766 Base-Backbone interact. energy: -0.952 local terms energy: -399.685822 where: bonds (distance) C4'-P energy: -81.348 bonds (distance) P-C4' energy: -80.062 flat angles C4'-P-C4' energy: -85.850 flat angles P-C4'-P energy: -62.211 tors. eta vs tors. theta energy: -90.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -1178.693289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.693289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.693289 (E_RNA) where: Base-Base interactions energy: -802.191 where: short stacking energy: -326.558 Base-Backbone interact. energy: -2.127 local terms energy: -374.374990 where: bonds (distance) C4'-P energy: -75.249 bonds (distance) P-C4' energy: -82.319 flat angles C4'-P-C4' energy: -83.135 flat angles P-C4'-P energy: -48.613 tors. eta vs tors. theta energy: -85.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -892.221391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.221391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.221391 (E_RNA) where: Base-Base interactions energy: -570.409 where: short stacking energy: -252.489 Base-Backbone interact. energy: -0.472 local terms energy: -321.340522 where: bonds (distance) C4'-P energy: -69.807 bonds (distance) P-C4' energy: -80.438 flat angles C4'-P-C4' energy: -79.831 flat angles P-C4'-P energy: -58.618 tors. eta vs tors. theta energy: -32.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1910.377235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.377235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.377235 (E_RNA) where: Base-Base interactions energy: -1355.957 where: short stacking energy: -540.865 Base-Backbone interact. energy: -0.183 local terms energy: -554.236486 where: bonds (distance) C4'-P energy: -85.311 bonds (distance) P-C4' energy: -99.549 flat angles C4'-P-C4' energy: -116.114 flat angles P-C4'-P energy: -83.302 tors. eta vs tors. theta energy: -169.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1817.064222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.064222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.064222 (E_RNA) where: Base-Base interactions energy: -1288.874 where: short stacking energy: -508.261 Base-Backbone interact. energy: -0.354 local terms energy: -527.836229 where: bonds (distance) C4'-P energy: -92.840 bonds (distance) P-C4' energy: -97.636 flat angles C4'-P-C4' energy: -117.200 flat angles P-C4'-P energy: -69.827 tors. eta vs tors. theta energy: -150.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1721.622944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.622944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.622944 (E_RNA) where: Base-Base interactions energy: -1207.256 where: short stacking energy: -475.284 Base-Backbone interact. energy: -1.823 local terms energy: -512.543903 where: bonds (distance) C4'-P energy: -86.905 bonds (distance) P-C4' energy: -95.408 flat angles C4'-P-C4' energy: -109.931 flat angles P-C4'-P energy: -75.978 tors. eta vs tors. theta energy: -144.321 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: 6 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1612.036611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.036611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.036611 (E_RNA) where: Base-Base interactions energy: -1142.904 where: short stacking energy: -455.972 Base-Backbone interact. energy: 3.116 local terms energy: -472.248884 where: bonds (distance) C4'-P energy: -86.689 bonds (distance) P-C4' energy: -85.202 flat angles C4'-P-C4' energy: -101.877 flat angles P-C4'-P energy: -61.302 tors. eta vs tors. theta energy: -137.179 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: 5, replica: 7 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1571.023730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.023730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.023730 (E_RNA) where: Base-Base interactions energy: -1093.716 where: short stacking energy: -444.863 Base-Backbone interact. energy: 1.993 local terms energy: -479.300303 where: bonds (distance) C4'-P energy: -82.357 bonds (distance) P-C4' energy: -78.712 flat angles C4'-P-C4' energy: -99.158 flat angles P-C4'-P energy: -80.366 tors. eta vs tors. theta energy: -138.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1496.373854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.373854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.373854 (E_RNA) where: Base-Base interactions energy: -1046.137 where: short stacking energy: -432.137 Base-Backbone interact. energy: -1.076 local terms energy: -449.161389 where: bonds (distance) C4'-P energy: -70.117 bonds (distance) P-C4' energy: -78.797 flat angles C4'-P-C4' energy: -103.862 flat angles P-C4'-P energy: -65.179 tors. eta vs tors. theta energy: -131.206 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: 1 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1342.367018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.367018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.367018 (E_RNA) where: Base-Base interactions energy: -916.902 where: short stacking energy: -372.746 Base-Backbone interact. energy: 0.311 local terms energy: -425.775590 where: bonds (distance) C4'-P energy: -80.546 bonds (distance) P-C4' energy: -82.006 flat angles C4'-P-C4' energy: -108.293 flat angles P-C4'-P energy: -50.511 tors. eta vs tors. theta energy: -104.420 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: 8, replica: 5 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1201.441451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.441451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.441451 (E_RNA) where: Base-Base interactions energy: -811.669 where: short stacking energy: -320.478 Base-Backbone interact. energy: 0.295 local terms energy: -390.067811 where: bonds (distance) C4'-P energy: -70.111 bonds (distance) P-C4' energy: -79.958 flat angles C4'-P-C4' energy: -93.651 flat angles P-C4'-P energy: -57.405 tors. eta vs tors. theta energy: -88.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -1149.603700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.603700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.603700 (E_RNA) where: Base-Base interactions energy: -788.190 where: short stacking energy: -336.260 Base-Backbone interact. energy: 0.170 local terms energy: -361.583084 where: bonds (distance) C4'-P energy: -60.451 bonds (distance) P-C4' energy: -82.744 flat angles C4'-P-C4' energy: -85.844 flat angles P-C4'-P energy: -50.262 tors. eta vs tors. theta energy: -82.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -885.238498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.238498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.238498 (E_RNA) where: Base-Base interactions energy: -592.792 where: short stacking energy: -256.231 Base-Backbone interact. energy: 5.991 local terms energy: -298.437348 where: bonds (distance) C4'-P energy: -77.050 bonds (distance) P-C4' energy: -68.102 flat angles C4'-P-C4' energy: -75.339 flat angles P-C4'-P energy: -43.889 tors. eta vs tors. theta energy: -34.058 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: 2 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1915.290750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.290750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.290750 (E_RNA) where: Base-Base interactions energy: -1357.955 where: short stacking energy: -543.910 Base-Backbone interact. energy: -3.019 local terms energy: -554.317058 where: bonds (distance) C4'-P energy: -94.119 bonds (distance) P-C4' energy: -94.680 flat angles C4'-P-C4' energy: -117.837 flat angles P-C4'-P energy: -74.663 tors. eta vs tors. theta energy: -173.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1807.113107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.113107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.113107 (E_RNA) where: Base-Base interactions energy: -1282.876 where: short stacking energy: -520.970 Base-Backbone interact. energy: 2.566 local terms energy: -526.802957 where: bonds (distance) C4'-P energy: -86.811 bonds (distance) P-C4' energy: -92.726 flat angles C4'-P-C4' energy: -116.132 flat angles P-C4'-P energy: -73.614 tors. eta vs tors. theta energy: -157.520 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: 3 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1707.237264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.237264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.237264 (E_RNA) where: Base-Base interactions energy: -1184.152 where: short stacking energy: -483.207 Base-Backbone interact. energy: -0.644 local terms energy: -522.441695 where: bonds (distance) C4'-P energy: -97.348 bonds (distance) P-C4' energy: -98.613 flat angles C4'-P-C4' energy: -108.721 flat angles P-C4'-P energy: -75.925 tors. eta vs tors. theta energy: -141.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1641.745759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.745759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.745759 (E_RNA) where: Base-Base interactions energy: -1137.163 where: short stacking energy: -468.821 Base-Backbone interact. energy: -1.392 local terms energy: -503.190716 where: bonds (distance) C4'-P energy: -88.442 bonds (distance) P-C4' energy: -91.624 flat angles C4'-P-C4' energy: -109.468 flat angles P-C4'-P energy: -72.378 tors. eta vs tors. theta energy: -141.279 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: 7 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1575.387923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.387923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.387923 (E_RNA) where: Base-Base interactions energy: -1100.113 where: short stacking energy: -452.942 Base-Backbone interact. energy: -1.119 local terms energy: -474.155773 where: bonds (distance) C4'-P energy: -83.971 bonds (distance) P-C4' energy: -91.415 flat angles C4'-P-C4' energy: -95.619 flat angles P-C4'-P energy: -68.929 tors. eta vs tors. theta energy: -134.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1479.990760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.990760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.990760 (E_RNA) where: Base-Base interactions energy: -1014.388 where: short stacking energy: -414.537 Base-Backbone interact. energy: -0.645 local terms energy: -464.957717 where: bonds (distance) C4'-P energy: -88.676 bonds (distance) P-C4' energy: -92.153 flat angles C4'-P-C4' energy: -90.098 flat angles P-C4'-P energy: -68.344 tors. eta vs tors. theta energy: -125.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1352.007517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.007517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.007517 (E_RNA) where: Base-Base interactions energy: -926.787 where: short stacking energy: -389.652 Base-Backbone interact. energy: 0.127 local terms energy: -425.348010 where: bonds (distance) C4'-P energy: -82.655 bonds (distance) P-C4' energy: -75.440 flat angles C4'-P-C4' energy: -91.328 flat angles P-C4'-P energy: -69.116 tors. eta vs tors. theta energy: -106.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1216.179974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.179974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.179974 (E_RNA) where: Base-Base interactions energy: -810.196 where: short stacking energy: -319.242 Base-Backbone interact. energy: -0.050 local terms energy: -405.934507 where: bonds (distance) C4'-P energy: -71.681 bonds (distance) P-C4' energy: -76.875 flat angles C4'-P-C4' energy: -93.384 flat angles P-C4'-P energy: -61.902 tors. eta vs tors. theta energy: -102.092 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: 9 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -1193.011594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.011594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.011594 (E_RNA) where: Base-Base interactions energy: -811.463 where: short stacking energy: -353.629 Base-Backbone interact. energy: -3.637 local terms energy: -377.910914 where: bonds (distance) C4'-P energy: -54.433 bonds (distance) P-C4' energy: -88.917 flat angles C4'-P-C4' energy: -95.697 flat angles P-C4'-P energy: -49.294 tors. eta vs tors. theta energy: -89.569 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: 10 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -948.478899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.478899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.478899 (E_RNA) where: Base-Base interactions energy: -619.946 where: short stacking energy: -238.731 Base-Backbone interact. energy: 3.582 local terms energy: -332.114260 where: bonds (distance) C4'-P energy: -70.438 bonds (distance) P-C4' energy: -79.107 flat angles C4'-P-C4' energy: -80.325 flat angles P-C4'-P energy: -44.494 tors. eta vs tors. theta energy: -57.750 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: 2 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1910.634116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.634116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.634116 (E_RNA) where: Base-Base interactions energy: -1352.713 where: short stacking energy: -530.398 Base-Backbone interact. energy: -1.257 local terms energy: -556.664521 where: bonds (distance) C4'-P energy: -99.111 bonds (distance) P-C4' energy: -104.333 flat angles C4'-P-C4' energy: -112.814 flat angles P-C4'-P energy: -74.013 tors. eta vs tors. theta energy: -166.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1804.112967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.112967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.112967 (E_RNA) where: Base-Base interactions energy: -1266.979 where: short stacking energy: -526.054 Base-Backbone interact. energy: 1.169 local terms energy: -538.303338 where: bonds (distance) C4'-P energy: -95.237 bonds (distance) P-C4' energy: -100.165 flat angles C4'-P-C4' energy: -113.972 flat angles P-C4'-P energy: -77.117 tors. eta vs tors. theta energy: -151.812 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: 3, replica: 3 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1692.542492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.542492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.542492 (E_RNA) where: Base-Base interactions energy: -1185.099 where: short stacking energy: -483.555 Base-Backbone interact. energy: -1.196 local terms energy: -506.247295 where: bonds (distance) C4'-P energy: -93.625 bonds (distance) P-C4' energy: -94.840 flat angles C4'-P-C4' energy: -105.323 flat angles P-C4'-P energy: -71.453 tors. eta vs tors. theta energy: -141.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1612.507533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.507533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.507533 (E_RNA) where: Base-Base interactions energy: -1137.278 where: short stacking energy: -465.942 Base-Backbone interact. energy: -1.664 local terms energy: -473.564838 where: bonds (distance) C4'-P energy: -82.595 bonds (distance) P-C4' energy: -89.393 flat angles C4'-P-C4' energy: -108.778 flat angles P-C4'-P energy: -58.806 tors. eta vs tors. theta energy: -133.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1595.030400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.030400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.030400 (E_RNA) where: Base-Base interactions energy: -1096.983 where: short stacking energy: -453.791 Base-Backbone interact. energy: -0.145 local terms energy: -497.902075 where: bonds (distance) C4'-P energy: -79.809 bonds (distance) P-C4' energy: -94.551 flat angles C4'-P-C4' energy: -111.951 flat angles P-C4'-P energy: -64.524 tors. eta vs tors. theta energy: -147.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1481.543355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.543355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.543355 (E_RNA) where: Base-Base interactions energy: -1019.620 where: short stacking energy: -426.691 Base-Backbone interact. energy: -1.149 local terms energy: -460.774438 where: bonds (distance) C4'-P energy: -71.433 bonds (distance) P-C4' energy: -91.896 flat angles C4'-P-C4' energy: -101.563 flat angles P-C4'-P energy: -74.020 tors. eta vs tors. theta energy: -121.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1399.886584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.886584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.886584 (E_RNA) where: Base-Base interactions energy: -947.819 where: short stacking energy: -396.167 Base-Backbone interact. energy: -0.429 local terms energy: -451.639113 where: bonds (distance) C4'-P energy: -98.759 bonds (distance) P-C4' energy: -70.237 flat angles C4'-P-C4' energy: -101.450 flat angles P-C4'-P energy: -60.730 tors. eta vs tors. theta energy: -120.464 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: 8, replica: 5 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1240.542349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.542349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.542349 (E_RNA) where: Base-Base interactions energy: -821.749 where: short stacking energy: -359.333 Base-Backbone interact. energy: -1.451 local terms energy: -417.341976 where: bonds (distance) C4'-P energy: -80.194 bonds (distance) P-C4' energy: -87.567 flat angles C4'-P-C4' energy: -100.831 flat angles P-C4'-P energy: -53.992 tors. eta vs tors. theta energy: -94.758 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: 9 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -1127.697061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.697061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.697061 (E_RNA) where: Base-Base interactions energy: -747.582 where: short stacking energy: -307.423 Base-Backbone interact. energy: 1.091 local terms energy: -381.206032 where: bonds (distance) C4'-P energy: -85.432 bonds (distance) P-C4' energy: -88.341 flat angles C4'-P-C4' energy: -89.491 flat angles P-C4'-P energy: -52.263 tors. eta vs tors. theta energy: -65.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -931.140730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.140730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.140730 (E_RNA) where: Base-Base interactions energy: -606.328 where: short stacking energy: -261.416 Base-Backbone interact. energy: 2.259 local terms energy: -327.072525 where: bonds (distance) C4'-P energy: -101.331 bonds (distance) P-C4' energy: -66.948 flat angles C4'-P-C4' energy: -76.669 flat angles P-C4'-P energy: -37.439 tors. eta vs tors. theta energy: -44.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1934.933510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.933510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.933510 (E_RNA) where: Base-Base interactions energy: -1361.952 where: short stacking energy: -560.048 Base-Backbone interact. energy: -1.283 local terms energy: -571.698699 where: bonds (distance) C4'-P energy: -99.086 bonds (distance) P-C4' energy: -98.105 flat angles C4'-P-C4' energy: -114.726 flat angles P-C4'-P energy: -84.720 tors. eta vs tors. theta energy: -175.061 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: 2, replica: 8 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1812.330976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.330976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.330976 (E_RNA) where: Base-Base interactions energy: -1276.818 where: short stacking energy: -524.856 Base-Backbone interact. energy: -1.309 local terms energy: -534.203586 where: bonds (distance) C4'-P energy: -89.126 bonds (distance) P-C4' energy: -89.112 flat angles C4'-P-C4' energy: -106.972 flat angles P-C4'-P energy: -86.326 tors. eta vs tors. theta energy: -162.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1716.547410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.547410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.547410 (E_RNA) where: Base-Base interactions energy: -1200.438 where: short stacking energy: -488.544 Base-Backbone interact. energy: -0.931 local terms energy: -515.177749 where: bonds (distance) C4'-P energy: -87.465 bonds (distance) P-C4' energy: -81.533 flat angles C4'-P-C4' energy: -109.296 flat angles P-C4'-P energy: -80.545 tors. eta vs tors. theta energy: -156.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1643.391876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.391876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.391876 (E_RNA) where: Base-Base interactions energy: -1135.503 where: short stacking energy: -480.348 Base-Backbone interact. energy: 0.564 local terms energy: -508.452613 where: bonds (distance) C4'-P energy: -94.133 bonds (distance) P-C4' energy: -91.885 flat angles C4'-P-C4' energy: -102.639 flat angles P-C4'-P energy: -70.789 tors. eta vs tors. theta energy: -149.006 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: 6 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1578.586274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.586274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.586274 (E_RNA) where: Base-Base interactions energy: -1105.811 where: short stacking energy: -446.895 Base-Backbone interact. energy: -1.470 local terms energy: -471.305344 where: bonds (distance) C4'-P energy: -78.050 bonds (distance) P-C4' energy: -80.466 flat angles C4'-P-C4' energy: -97.968 flat angles P-C4'-P energy: -65.455 tors. eta vs tors. theta energy: -149.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1498.627691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.627691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.627691 (E_RNA) where: Base-Base interactions energy: -1022.441 where: short stacking energy: -429.295 Base-Backbone interact. energy: -1.186 local terms energy: -475.001381 where: bonds (distance) C4'-P energy: -88.114 bonds (distance) P-C4' energy: -85.706 flat angles C4'-P-C4' energy: -101.572 flat angles P-C4'-P energy: -62.560 tors. eta vs tors. theta energy: -137.049 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: 1 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1377.705123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.705123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.705123 (E_RNA) where: Base-Base interactions energy: -953.379 where: short stacking energy: -397.940 Base-Backbone interact. energy: -2.451 local terms energy: -421.874782 where: bonds (distance) C4'-P energy: -72.613 bonds (distance) P-C4' energy: -88.433 flat angles C4'-P-C4' energy: -98.819 flat angles P-C4'-P energy: -46.673 tors. eta vs tors. theta energy: -115.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1204.475630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.475630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.475630 (E_RNA) where: Base-Base interactions energy: -797.540 where: short stacking energy: -325.650 Base-Backbone interact. energy: -0.771 local terms energy: -406.165063 where: bonds (distance) C4'-P energy: -81.964 bonds (distance) P-C4' energy: -79.421 flat angles C4'-P-C4' energy: -89.648 flat angles P-C4'-P energy: -64.210 tors. eta vs tors. theta energy: -90.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -1087.398396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.398396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.398396 (E_RNA) where: Base-Base interactions energy: -725.756 where: short stacking energy: -317.247 Base-Backbone interact. energy: 6.587 local terms energy: -368.229260 where: bonds (distance) C4'-P energy: -76.250 bonds (distance) P-C4' energy: -85.264 flat angles C4'-P-C4' energy: -75.335 flat angles P-C4'-P energy: -63.395 tors. eta vs tors. theta energy: -67.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -921.257340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.257340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.257340 (E_RNA) where: Base-Base interactions energy: -597.834 where: short stacking energy: -245.761 Base-Backbone interact. energy: -1.892 local terms energy: -321.531690 where: bonds (distance) C4'-P energy: -77.980 bonds (distance) P-C4' energy: -80.760 flat angles C4'-P-C4' energy: -65.818 flat angles P-C4'-P energy: -47.653 tors. eta vs tors. theta energy: -49.321 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: 2 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1922.733757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.733757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.733757 (E_RNA) where: Base-Base interactions energy: -1367.951 where: short stacking energy: -544.232 Base-Backbone interact. energy: -1.434 local terms energy: -553.348999 where: bonds (distance) C4'-P energy: -94.733 bonds (distance) P-C4' energy: -89.248 flat angles C4'-P-C4' energy: -120.476 flat angles P-C4'-P energy: -80.540 tors. eta vs tors. theta energy: -168.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1823.772398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.772398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.772398 (E_RNA) where: Base-Base interactions energy: -1264.652 where: short stacking energy: -508.273 Base-Backbone interact. energy: -0.587 local terms energy: -558.533325 where: bonds (distance) C4'-P energy: -106.853 bonds (distance) P-C4' energy: -96.222 flat angles C4'-P-C4' energy: -117.004 flat angles P-C4'-P energy: -77.634 tors. eta vs tors. theta energy: -160.820 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: 3 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1690.461855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.461855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.461855 (E_RNA) where: Base-Base interactions energy: -1193.505 where: short stacking energy: -473.162 Base-Backbone interact. energy: -2.369 local terms energy: -494.588342 where: bonds (distance) C4'-P energy: -85.725 bonds (distance) P-C4' energy: -78.944 flat angles C4'-P-C4' energy: -107.482 flat angles P-C4'-P energy: -75.105 tors. eta vs tors. theta energy: -147.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1655.702901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.702901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.702901 (E_RNA) where: Base-Base interactions energy: -1137.191 where: short stacking energy: -453.152 Base-Backbone interact. energy: -3.819 local terms energy: -514.692062 where: bonds (distance) C4'-P energy: -99.524 bonds (distance) P-C4' energy: -86.985 flat angles C4'-P-C4' energy: -104.053 flat angles P-C4'-P energy: -74.591 tors. eta vs tors. theta energy: -149.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -1561.690490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.690490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.690490 (E_RNA) where: Base-Base interactions energy: -1090.307 where: short stacking energy: -434.504 Base-Backbone interact. energy: -1.710 local terms energy: -469.673573 where: bonds (distance) C4'-P energy: -82.396 bonds (distance) P-C4' energy: -85.332 flat angles C4'-P-C4' energy: -103.566 flat angles P-C4'-P energy: -65.605 tors. eta vs tors. theta energy: -132.775 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: 4 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1474.922908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.922908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.922908 (E_RNA) where: Base-Base interactions energy: -1029.515 where: short stacking energy: -414.186 Base-Backbone interact. energy: -1.969 local terms energy: -443.438783 where: bonds (distance) C4'-P energy: -78.921 bonds (distance) P-C4' energy: -77.242 flat angles C4'-P-C4' energy: -102.883 flat angles P-C4'-P energy: -67.265 tors. eta vs tors. theta energy: -117.129 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: 380 Temperature: 1.200000 Total energy: -1380.220901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.220901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.220901 (E_RNA) where: Base-Base interactions energy: -944.692 where: short stacking energy: -391.156 Base-Backbone interact. energy: 1.105 local terms energy: -436.633940 where: bonds (distance) C4'-P energy: -76.319 bonds (distance) P-C4' energy: -86.532 flat angles C4'-P-C4' energy: -101.868 flat angles P-C4'-P energy: -61.886 tors. eta vs tors. theta energy: -110.028 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: 5 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1293.049500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.049500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.049500 (E_RNA) where: Base-Base interactions energy: -883.036 where: short stacking energy: -355.695 Base-Backbone interact. energy: -0.737 local terms energy: -409.276929 where: bonds (distance) C4'-P energy: -71.871 bonds (distance) P-C4' energy: -85.717 flat angles C4'-P-C4' energy: -92.582 flat angles P-C4'-P energy: -57.991 tors. eta vs tors. theta energy: -101.117 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: 9 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -1098.756403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.756403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.756403 (E_RNA) where: Base-Base interactions energy: -733.061 where: short stacking energy: -301.656 Base-Backbone interact. energy: 1.622 local terms energy: -367.317102 where: bonds (distance) C4'-P energy: -85.391 bonds (distance) P-C4' energy: -82.994 flat angles C4'-P-C4' energy: -73.545 flat angles P-C4'-P energy: -54.553 tors. eta vs tors. theta energy: -70.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -990.011681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.011681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.011681 (E_RNA) where: Base-Base interactions energy: -673.655 where: short stacking energy: -276.682 Base-Backbone interact. energy: 3.754 local terms energy: -320.110867 where: bonds (distance) C4'-P energy: -62.401 bonds (distance) P-C4' energy: -66.113 flat angles C4'-P-C4' energy: -89.996 flat angles P-C4'-P energy: -42.752 tors. eta vs tors. theta energy: -58.849 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: 1, replica: 2 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1903.537715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.537715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.537715 (E_RNA) where: Base-Base interactions energy: -1334.582 where: short stacking energy: -535.048 Base-Backbone interact. energy: -1.236 local terms energy: -567.719146 where: bonds (distance) C4'-P energy: -99.689 bonds (distance) P-C4' energy: -100.063 flat angles C4'-P-C4' energy: -111.279 flat angles P-C4'-P energy: -85.504 tors. eta vs tors. theta energy: -171.184 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: 8 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1802.922888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.922888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.922888 (E_RNA) where: Base-Base interactions energy: -1277.878 where: short stacking energy: -495.138 Base-Backbone interact. energy: -2.174 local terms energy: -522.870642 where: bonds (distance) C4'-P energy: -96.110 bonds (distance) P-C4' energy: -99.345 flat angles C4'-P-C4' energy: -101.905 flat angles P-C4'-P energy: -75.946 tors. eta vs tors. theta energy: -149.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1751.919672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.919672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.919672 (E_RNA) where: Base-Base interactions energy: -1238.102 where: short stacking energy: -498.977 Base-Backbone interact. energy: -1.307 local terms energy: -512.510568 where: bonds (distance) C4'-P energy: -92.207 bonds (distance) P-C4' energy: -92.731 flat angles C4'-P-C4' energy: -111.079 flat angles P-C4'-P energy: -72.509 tors. eta vs tors. theta energy: -143.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1662.398911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.398911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.398911 (E_RNA) where: Base-Base interactions energy: -1163.112 where: short stacking energy: -495.788 Base-Backbone interact. energy: -1.450 local terms energy: -497.837577 where: bonds (distance) C4'-P energy: -94.644 bonds (distance) P-C4' energy: -93.965 flat angles C4'-P-C4' energy: -102.389 flat angles P-C4'-P energy: -56.931 tors. eta vs tors. theta energy: -149.909 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: 6 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1564.278198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.278198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.278198 (E_RNA) where: Base-Base interactions energy: -1109.088 where: short stacking energy: -445.077 Base-Backbone interact. energy: -0.393 local terms energy: -454.796845 where: bonds (distance) C4'-P energy: -73.378 bonds (distance) P-C4' energy: -71.758 flat angles C4'-P-C4' energy: -103.458 flat angles P-C4'-P energy: -69.734 tors. eta vs tors. theta energy: -136.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1475.767930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.767930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.767930 (E_RNA) where: Base-Base interactions energy: -1013.334 where: short stacking energy: -395.608 Base-Backbone interact. energy: -1.063 local terms energy: -461.371724 where: bonds (distance) C4'-P energy: -80.758 bonds (distance) P-C4' energy: -88.935 flat angles C4'-P-C4' energy: -99.116 flat angles P-C4'-P energy: -69.736 tors. eta vs tors. theta energy: -122.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1372.661187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.661187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.661187 (E_RNA) where: Base-Base interactions energy: -949.908 where: short stacking energy: -366.826 Base-Backbone interact. energy: 1.346 local terms energy: -424.099492 where: bonds (distance) C4'-P energy: -82.830 bonds (distance) P-C4' energy: -83.045 flat angles C4'-P-C4' energy: -98.660 flat angles P-C4'-P energy: -63.270 tors. eta vs tors. theta energy: -96.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1319.868985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.868985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.868985 (E_RNA) where: Base-Base interactions energy: -931.896 where: short stacking energy: -367.654 Base-Backbone interact. energy: 1.392 local terms energy: -389.365067 where: bonds (distance) C4'-P energy: -76.258 bonds (distance) P-C4' energy: -78.483 flat angles C4'-P-C4' energy: -73.173 flat angles P-C4'-P energy: -60.966 tors. eta vs tors. theta energy: -100.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -1115.914813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.914813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.914813 (E_RNA) where: Base-Base interactions energy: -727.574 where: short stacking energy: -297.220 Base-Backbone interact. energy: 1.893 local terms energy: -390.233879 where: bonds (distance) C4'-P energy: -77.568 bonds (distance) P-C4' energy: -81.952 flat angles C4'-P-C4' energy: -85.165 flat angles P-C4'-P energy: -63.115 tors. eta vs tors. theta energy: -82.434 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: 10 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -995.545215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.545215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.545215 (E_RNA) where: Base-Base interactions energy: -656.643 where: short stacking energy: -268.747 Base-Backbone interact. energy: -0.381 local terms energy: -338.521516 where: bonds (distance) C4'-P energy: -71.989 bonds (distance) P-C4' energy: -87.826 flat angles C4'-P-C4' energy: -80.377 flat angles P-C4'-P energy: -37.573 tors. eta vs tors. theta energy: -60.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1900.297635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.297635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.297635 (E_RNA) where: Base-Base interactions energy: -1347.256 where: short stacking energy: -540.982 Base-Backbone interact. energy: -0.898 local terms energy: -552.143234 where: bonds (distance) C4'-P energy: -89.340 bonds (distance) P-C4' energy: -100.410 flat angles C4'-P-C4' energy: -117.786 flat angles P-C4'-P energy: -79.536 tors. eta vs tors. theta energy: -165.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1821.643393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.643393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.643393 (E_RNA) where: Base-Base interactions energy: -1289.241 where: short stacking energy: -507.834 Base-Backbone interact. energy: -0.556 local terms energy: -531.845862 where: bonds (distance) C4'-P energy: -92.431 bonds (distance) P-C4' energy: -90.421 flat angles C4'-P-C4' energy: -119.160 flat angles P-C4'-P energy: -72.708 tors. eta vs tors. theta energy: -157.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1752.932023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.932023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.932023 (E_RNA) where: Base-Base interactions energy: -1242.614 where: short stacking energy: -486.531 Base-Backbone interact. energy: 2.281 local terms energy: -512.598909 where: bonds (distance) C4'-P energy: -101.583 bonds (distance) P-C4' energy: -95.712 flat angles C4'-P-C4' energy: -101.365 flat angles P-C4'-P energy: -66.669 tors. eta vs tors. theta energy: -147.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1667.946012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.946012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.946012 (E_RNA) where: Base-Base interactions energy: -1150.408 where: short stacking energy: -468.761 Base-Backbone interact. energy: -1.232 local terms energy: -516.306715 where: bonds (distance) C4'-P energy: -99.897 bonds (distance) P-C4' energy: -98.980 flat angles C4'-P-C4' energy: -102.813 flat angles P-C4'-P energy: -65.790 tors. eta vs tors. theta energy: -148.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1594.008125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.008125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.008125 (E_RNA) where: Base-Base interactions energy: -1134.981 where: short stacking energy: -452.692 Base-Backbone interact. energy: -1.568 local terms energy: -457.459559 where: bonds (distance) C4'-P energy: -84.965 bonds (distance) P-C4' energy: -73.419 flat angles C4'-P-C4' energy: -101.184 flat angles P-C4'-P energy: -61.470 tors. eta vs tors. theta energy: -136.422 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: 4 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1482.729165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.729165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.729165 (E_RNA) where: Base-Base interactions energy: -1029.988 where: short stacking energy: -424.498 Base-Backbone interact. energy: -0.025 local terms energy: -452.716120 where: bonds (distance) C4'-P energy: -72.868 bonds (distance) P-C4' energy: -84.575 flat angles C4'-P-C4' energy: -99.624 flat angles P-C4'-P energy: -69.163 tors. eta vs tors. theta energy: -126.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1345.848992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.848992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.848992 (E_RNA) where: Base-Base interactions energy: -926.186 where: short stacking energy: -374.188 Base-Backbone interact. energy: -1.798 local terms energy: -417.865417 where: bonds (distance) C4'-P energy: -84.936 bonds (distance) P-C4' energy: -75.399 flat angles C4'-P-C4' energy: -89.653 flat angles P-C4'-P energy: -55.643 tors. eta vs tors. theta energy: -112.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1282.716588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.716588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.716588 (E_RNA) where: Base-Base interactions energy: -893.289 where: short stacking energy: -369.506 Base-Backbone interact. energy: 0.188 local terms energy: -389.615194 where: bonds (distance) C4'-P energy: -68.076 bonds (distance) P-C4' energy: -68.406 flat angles C4'-P-C4' energy: -92.842 flat angles P-C4'-P energy: -57.123 tors. eta vs tors. theta energy: -103.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -1146.882602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.882602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.882602 (E_RNA) where: Base-Base interactions energy: -762.283 where: short stacking energy: -305.964 Base-Backbone interact. energy: 0.390 local terms energy: -384.989473 where: bonds (distance) C4'-P energy: -78.293 bonds (distance) P-C4' energy: -94.835 flat angles C4'-P-C4' energy: -75.819 flat angles P-C4'-P energy: -63.819 tors. eta vs tors. theta energy: -72.224 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: 382 Temperature: 1.350000 Total energy: -1017.324409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.324409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.324409 (E_RNA) where: Base-Base interactions energy: -663.258 where: short stacking energy: -290.162 Base-Backbone interact. energy: -1.011 local terms energy: -353.055883 where: bonds (distance) C4'-P energy: -66.690 bonds (distance) P-C4' energy: -75.388 flat angles C4'-P-C4' energy: -94.977 flat angles P-C4'-P energy: -54.400 tors. eta vs tors. theta energy: -61.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1901.140068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.140068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.140068 (E_RNA) where: Base-Base interactions energy: -1335.220 where: short stacking energy: -533.219 Base-Backbone interact. energy: -0.376 local terms energy: -565.543703 where: bonds (distance) C4'-P energy: -105.694 bonds (distance) P-C4' energy: -93.845 flat angles C4'-P-C4' energy: -116.822 flat angles P-C4'-P energy: -82.266 tors. eta vs tors. theta energy: -166.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1799.679421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.679421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.679421 (E_RNA) where: Base-Base interactions energy: -1251.403 where: short stacking energy: -510.150 Base-Backbone interact. energy: 1.366 local terms energy: -549.642122 where: bonds (distance) C4'-P energy: -103.085 bonds (distance) P-C4' energy: -91.635 flat angles C4'-P-C4' energy: -117.933 flat angles P-C4'-P energy: -71.901 tors. eta vs tors. theta energy: -165.088 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: 3 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1772.980629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.980629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.980629 (E_RNA) where: Base-Base interactions energy: -1253.166 where: short stacking energy: -500.335 Base-Backbone interact. energy: -1.108 local terms energy: -518.706869 where: bonds (distance) C4'-P energy: -85.967 bonds (distance) P-C4' energy: -94.052 flat angles C4'-P-C4' energy: -114.329 flat angles P-C4'-P energy: -77.180 tors. eta vs tors. theta energy: -147.180 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: 7 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1650.400973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.400973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.400973 (E_RNA) where: Base-Base interactions energy: -1155.978 where: short stacking energy: -477.195 Base-Backbone interact. energy: -2.146 local terms energy: -492.277537 where: bonds (distance) C4'-P energy: -86.942 bonds (distance) P-C4' energy: -76.171 flat angles C4'-P-C4' energy: -100.356 flat angles P-C4'-P energy: -80.332 tors. eta vs tors. theta energy: -148.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1590.431925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.431925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.431925 (E_RNA) where: Base-Base interactions energy: -1114.633 where: short stacking energy: -454.210 Base-Backbone interact. energy: -1.523 local terms energy: -474.275681 where: bonds (distance) C4'-P energy: -89.935 bonds (distance) P-C4' energy: -77.654 flat angles C4'-P-C4' energy: -101.131 flat angles P-C4'-P energy: -73.485 tors. eta vs tors. theta energy: -132.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1477.140187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.140187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.140187 (E_RNA) where: Base-Base interactions energy: -1015.977 where: short stacking energy: -407.139 Base-Backbone interact. energy: -0.595 local terms energy: -460.567988 where: bonds (distance) C4'-P energy: -80.410 bonds (distance) P-C4' energy: -86.205 flat angles C4'-P-C4' energy: -97.919 flat angles P-C4'-P energy: -70.482 tors. eta vs tors. theta energy: -125.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1317.298986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.298986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.298986 (E_RNA) where: Base-Base interactions energy: -918.515 where: short stacking energy: -394.272 Base-Backbone interact. energy: -0.993 local terms energy: -397.791562 where: bonds (distance) C4'-P energy: -70.647 bonds (distance) P-C4' energy: -79.721 flat angles C4'-P-C4' energy: -92.528 flat angles P-C4'-P energy: -56.078 tors. eta vs tors. theta energy: -98.817 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: 5 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1293.733854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.733854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.733854 (E_RNA) where: Base-Base interactions energy: -881.999 where: short stacking energy: -370.650 Base-Backbone interact. energy: 0.421 local terms energy: -412.155634 where: bonds (distance) C4'-P energy: -80.833 bonds (distance) P-C4' energy: -87.700 flat angles C4'-P-C4' energy: -78.564 flat angles P-C4'-P energy: -62.499 tors. eta vs tors. theta energy: -102.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -1125.516081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.516081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.516081 (E_RNA) where: Base-Base interactions energy: -736.355 where: short stacking energy: -303.109 Base-Backbone interact. energy: -0.792 local terms energy: -388.368491 where: bonds (distance) C4'-P energy: -80.438 bonds (distance) P-C4' energy: -82.245 flat angles C4'-P-C4' energy: -91.985 flat angles P-C4'-P energy: -58.821 tors. eta vs tors. theta energy: -74.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -1002.340670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.340670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.340670 (E_RNA) where: Base-Base interactions energy: -652.110 where: short stacking energy: -258.228 Base-Backbone interact. energy: -2.578 local terms energy: -347.652395 where: bonds (distance) C4'-P energy: -75.905 bonds (distance) P-C4' energy: -75.000 flat angles C4'-P-C4' energy: -76.178 flat angles P-C4'-P energy: -67.262 tors. eta vs tors. theta energy: -53.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1920.555226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.555226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.555226 (E_RNA) where: Base-Base interactions energy: -1371.087 where: short stacking energy: -546.384 Base-Backbone interact. energy: -0.923 local terms energy: -548.545317 where: bonds (distance) C4'-P energy: -95.812 bonds (distance) P-C4' energy: -89.604 flat angles C4'-P-C4' energy: -115.057 flat angles P-C4'-P energy: -75.296 tors. eta vs tors. theta energy: -172.776 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: 8 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1799.678370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.678370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.678370 (E_RNA) where: Base-Base interactions energy: -1269.550 where: short stacking energy: -512.780 Base-Backbone interact. energy: -1.200 local terms energy: -528.928577 where: bonds (distance) C4'-P energy: -105.506 bonds (distance) P-C4' energy: -98.226 flat angles C4'-P-C4' energy: -104.184 flat angles P-C4'-P energy: -71.708 tors. eta vs tors. theta energy: -149.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1782.887722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.887722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.887722 (E_RNA) where: Base-Base interactions energy: -1264.940 where: short stacking energy: -509.166 Base-Backbone interact. energy: -2.161 local terms energy: -515.786389 where: bonds (distance) C4'-P energy: -81.475 bonds (distance) P-C4' energy: -85.900 flat angles C4'-P-C4' energy: -113.550 flat angles P-C4'-P energy: -80.302 tors. eta vs tors. theta energy: -154.559 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: 4, replica: 7 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1628.918596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.918596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.918596 (E_RNA) where: Base-Base interactions energy: -1141.266 where: short stacking energy: -459.600 Base-Backbone interact. energy: -2.158 local terms energy: -485.494313 where: bonds (distance) C4'-P energy: -97.675 bonds (distance) P-C4' energy: -83.778 flat angles C4'-P-C4' energy: -104.170 flat angles P-C4'-P energy: -62.979 tors. eta vs tors. theta energy: -136.892 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: 6 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1552.874494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.874494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.874494 (E_RNA) where: Base-Base interactions energy: -1076.954 where: short stacking energy: -411.305 Base-Backbone interact. energy: -1.370 local terms energy: -474.550327 where: bonds (distance) C4'-P energy: -92.463 bonds (distance) P-C4' energy: -89.307 flat angles C4'-P-C4' energy: -103.298 flat angles P-C4'-P energy: -67.014 tors. eta vs tors. theta energy: -122.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1496.256357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.256357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.256357 (E_RNA) where: Base-Base interactions energy: -1030.453 where: short stacking energy: -423.759 Base-Backbone interact. energy: -1.012 local terms energy: -464.791660 where: bonds (distance) C4'-P energy: -85.786 bonds (distance) P-C4' energy: -82.674 flat angles C4'-P-C4' energy: -100.645 flat angles P-C4'-P energy: -60.650 tors. eta vs tors. theta energy: -135.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1298.063145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.063145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.063145 (E_RNA) where: Base-Base interactions energy: -901.635 where: short stacking energy: -390.838 Base-Backbone interact. energy: 4.047 local terms energy: -400.474792 where: bonds (distance) C4'-P energy: -76.853 bonds (distance) P-C4' energy: -82.063 flat angles C4'-P-C4' energy: -84.183 flat angles P-C4'-P energy: -51.519 tors. eta vs tors. theta energy: -105.858 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: 384 Temperature: 1.250000 Total energy: -1278.183385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.183385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.183385 (E_RNA) where: Base-Base interactions energy: -859.421 where: short stacking energy: -354.869 Base-Backbone interact. energy: -1.431 local terms energy: -417.330704 where: bonds (distance) C4'-P energy: -82.224 bonds (distance) P-C4' energy: -94.544 flat angles C4'-P-C4' energy: -88.367 flat angles P-C4'-P energy: -51.046 tors. eta vs tors. theta energy: -101.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -1064.653230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.653230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.653230 (E_RNA) where: Base-Base interactions energy: -700.694 where: short stacking energy: -293.070 Base-Backbone interact. energy: 1.151 local terms energy: -365.110289 where: bonds (distance) C4'-P energy: -76.923 bonds (distance) P-C4' energy: -79.092 flat angles C4'-P-C4' energy: -80.561 flat angles P-C4'-P energy: -58.061 tors. eta vs tors. theta energy: -70.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -1055.772429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.772429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.772429 (E_RNA) where: Base-Base interactions energy: -697.753 where: short stacking energy: -285.634 Base-Backbone interact. energy: 4.521 local terms energy: -362.540131 where: bonds (distance) C4'-P energy: -79.651 bonds (distance) P-C4' energy: -78.767 flat angles C4'-P-C4' energy: -84.113 flat angles P-C4'-P energy: -46.740 tors. eta vs tors. theta energy: -73.268 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: 2 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1917.081629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.081629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.081629 (E_RNA) where: Base-Base interactions energy: -1357.472 where: short stacking energy: -552.109 Base-Backbone interact. energy: 1.916 local terms energy: -561.525467 where: bonds (distance) C4'-P energy: -92.950 bonds (distance) P-C4' energy: -97.290 flat angles C4'-P-C4' energy: -119.432 flat angles P-C4'-P energy: -81.692 tors. eta vs tors. theta energy: -170.161 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: 8 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1790.335520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.335520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.335520 (E_RNA) where: Base-Base interactions energy: -1270.388 where: short stacking energy: -489.009 Base-Backbone interact. energy: -1.148 local terms energy: -518.800494 where: bonds (distance) C4'-P energy: -98.459 bonds (distance) P-C4' energy: -90.005 flat angles C4'-P-C4' energy: -118.814 flat angles P-C4'-P energy: -62.454 tors. eta vs tors. theta energy: -149.070 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: 3, replica: 3 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1746.150166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.150166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.150166 (E_RNA) where: Base-Base interactions energy: -1212.750 where: short stacking energy: -490.058 Base-Backbone interact. energy: -1.540 local terms energy: -531.859581 where: bonds (distance) C4'-P energy: -99.004 bonds (distance) P-C4' energy: -93.333 flat angles C4'-P-C4' energy: -109.125 flat angles P-C4'-P energy: -80.973 tors. eta vs tors. theta energy: -149.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1634.010939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.010939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.010939 (E_RNA) where: Base-Base interactions energy: -1156.686 where: short stacking energy: -449.129 Base-Backbone interact. energy: -0.886 local terms energy: -476.439061 where: bonds (distance) C4'-P energy: -69.221 bonds (distance) P-C4' energy: -94.683 flat angles C4'-P-C4' energy: -104.812 flat angles P-C4'-P energy: -72.020 tors. eta vs tors. theta energy: -135.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1597.149239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.149239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.149239 (E_RNA) where: Base-Base interactions energy: -1126.180 where: short stacking energy: -452.287 Base-Backbone interact. energy: -2.694 local terms energy: -468.275323 where: bonds (distance) C4'-P energy: -87.187 bonds (distance) P-C4' energy: -80.487 flat angles C4'-P-C4' energy: -91.987 flat angles P-C4'-P energy: -69.285 tors. eta vs tors. theta energy: -139.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1491.869458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.869458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.869458 (E_RNA) where: Base-Base interactions energy: -1033.024 where: short stacking energy: -426.560 Base-Backbone interact. energy: -1.010 local terms energy: -457.835412 where: bonds (distance) C4'-P energy: -83.122 bonds (distance) P-C4' energy: -74.556 flat angles C4'-P-C4' energy: -100.946 flat angles P-C4'-P energy: -69.816 tors. eta vs tors. theta energy: -129.395 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: 1 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1290.593868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.593868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.593868 (E_RNA) where: Base-Base interactions energy: -863.026 where: short stacking energy: -365.767 Base-Backbone interact. energy: -0.089 local terms energy: -427.478784 where: bonds (distance) C4'-P energy: -76.909 bonds (distance) P-C4' energy: -85.150 flat angles C4'-P-C4' energy: -96.822 flat angles P-C4'-P energy: -61.453 tors. eta vs tors. theta energy: -107.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1236.201964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.201964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.201964 (E_RNA) where: Base-Base interactions energy: -825.478 where: short stacking energy: -331.562 Base-Backbone interact. energy: -0.525 local terms energy: -410.199024 where: bonds (distance) C4'-P energy: -70.573 bonds (distance) P-C4' energy: -73.928 flat angles C4'-P-C4' energy: -101.082 flat angles P-C4'-P energy: -65.549 tors. eta vs tors. theta energy: -99.067 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: 10 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -1044.810825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.810825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.810825 (E_RNA) where: Base-Base interactions energy: -683.525 where: short stacking energy: -305.146 Base-Backbone interact. energy: 0.254 local terms energy: -361.539923 where: bonds (distance) C4'-P energy: -86.481 bonds (distance) P-C4' energy: -81.290 flat angles C4'-P-C4' energy: -80.901 flat angles P-C4'-P energy: -45.981 tors. eta vs tors. theta energy: -66.887 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: 9 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -1054.516087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.516087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.516087 (E_RNA) where: Base-Base interactions energy: -726.271 where: short stacking energy: -319.263 Base-Backbone interact. energy: 2.839 local terms energy: -331.083774 where: bonds (distance) C4'-P energy: -65.967 bonds (distance) P-C4' energy: -63.221 flat angles C4'-P-C4' energy: -73.396 flat angles P-C4'-P energy: -57.248 tors. eta vs tors. theta energy: -71.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1917.507780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.507780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.507780 (E_RNA) where: Base-Base interactions energy: -1383.546 where: short stacking energy: -553.236 Base-Backbone interact. energy: -1.709 local terms energy: -532.253378 where: bonds (distance) C4'-P energy: -83.760 bonds (distance) P-C4' energy: -81.262 flat angles C4'-P-C4' energy: -114.252 flat angles P-C4'-P energy: -77.775 tors. eta vs tors. theta energy: -175.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1813.266270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.266270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.266270 (E_RNA) where: Base-Base interactions energy: -1288.888 where: short stacking energy: -519.792 Base-Backbone interact. energy: -1.989 local terms energy: -522.388840 where: bonds (distance) C4'-P energy: -84.537 bonds (distance) P-C4' energy: -89.113 flat angles C4'-P-C4' energy: -112.065 flat angles P-C4'-P energy: -79.249 tors. eta vs tors. theta energy: -157.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1769.536399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.536399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.536399 (E_RNA) where: Base-Base interactions energy: -1253.339 where: short stacking energy: -496.886 Base-Backbone interact. energy: -0.193 local terms energy: -516.005080 where: bonds (distance) C4'-P energy: -97.556 bonds (distance) P-C4' energy: -84.015 flat angles C4'-P-C4' energy: -106.185 flat angles P-C4'-P energy: -76.883 tors. eta vs tors. theta energy: -151.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1609.536034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.536034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.536034 (E_RNA) where: Base-Base interactions energy: -1130.381 where: short stacking energy: -459.831 Base-Backbone interact. energy: -1.726 local terms energy: -477.428683 where: bonds (distance) C4'-P energy: -81.086 bonds (distance) P-C4' energy: -89.193 flat angles C4'-P-C4' energy: -95.316 flat angles P-C4'-P energy: -73.569 tors. eta vs tors. theta energy: -138.264 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: 7 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -1535.562964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.562964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.562964 (E_RNA) where: Base-Base interactions energy: -1085.108 where: short stacking energy: -458.486 Base-Backbone interact. energy: -1.425 local terms energy: -449.029937 where: bonds (distance) C4'-P energy: -79.775 bonds (distance) P-C4' energy: -81.814 flat angles C4'-P-C4' energy: -87.900 flat angles P-C4'-P energy: -62.843 tors. eta vs tors. theta energy: -136.699 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: 4 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1498.863659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.863659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.863659 (E_RNA) where: Base-Base interactions energy: -1061.844 where: short stacking energy: -447.672 Base-Backbone interact. energy: 0.011 local terms energy: -437.030627 where: bonds (distance) C4'-P energy: -73.532 bonds (distance) P-C4' energy: -65.372 flat angles C4'-P-C4' energy: -91.739 flat angles P-C4'-P energy: -63.456 tors. eta vs tors. theta energy: -142.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1269.973207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.973207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.973207 (E_RNA) where: Base-Base interactions energy: -874.525 where: short stacking energy: -368.055 Base-Backbone interact. energy: 0.155 local terms energy: -395.603514 where: bonds (distance) C4'-P energy: -73.583 bonds (distance) P-C4' energy: -61.722 flat angles C4'-P-C4' energy: -88.881 flat angles P-C4'-P energy: -61.960 tors. eta vs tors. theta energy: -109.458 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: 386 Temperature: 1.250000 Total energy: -1221.765688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.765688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.765688 (E_RNA) where: Base-Base interactions energy: -823.389 where: short stacking energy: -341.977 Base-Backbone interact. energy: -1.026 local terms energy: -397.351083 where: bonds (distance) C4'-P energy: -77.025 bonds (distance) P-C4' energy: -87.542 flat angles C4'-P-C4' energy: -79.848 flat angles P-C4'-P energy: -58.540 tors. eta vs tors. theta energy: -94.396 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: 9 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -1076.398766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.398766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.398766 (E_RNA) where: Base-Base interactions energy: -719.761 where: short stacking energy: -315.134 Base-Backbone interact. energy: -2.375 local terms energy: -354.262960 where: bonds (distance) C4'-P energy: -84.063 bonds (distance) P-C4' energy: -77.538 flat angles C4'-P-C4' energy: -81.591 flat angles P-C4'-P energy: -45.338 tors. eta vs tors. theta energy: -65.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -994.471449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.471449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.471449 (E_RNA) where: Base-Base interactions energy: -646.849 where: short stacking energy: -268.899 Base-Backbone interact. energy: -0.549 local terms energy: -347.072569 where: bonds (distance) C4'-P energy: -73.100 bonds (distance) P-C4' energy: -82.639 flat angles C4'-P-C4' energy: -84.004 flat angles P-C4'-P energy: -46.830 tors. eta vs tors. theta energy: -60.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1911.054075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.054075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.054075 (E_RNA) where: Base-Base interactions energy: -1357.545 where: short stacking energy: -547.327 Base-Backbone interact. energy: -1.237 local terms energy: -552.271765 where: bonds (distance) C4'-P energy: -99.644 bonds (distance) P-C4' energy: -99.760 flat angles C4'-P-C4' energy: -113.584 flat angles P-C4'-P energy: -68.933 tors. eta vs tors. theta energy: -170.351 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: 8 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1807.372178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.372178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.372178 (E_RNA) where: Base-Base interactions energy: -1273.742 where: short stacking energy: -498.608 Base-Backbone interact. energy: -1.536 local terms energy: -532.095061 where: bonds (distance) C4'-P energy: -104.304 bonds (distance) P-C4' energy: -87.020 flat angles C4'-P-C4' energy: -111.091 flat angles P-C4'-P energy: -73.183 tors. eta vs tors. theta energy: -156.496 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: 3 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1750.739831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.739831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.739831 (E_RNA) where: Base-Base interactions energy: -1241.004 where: short stacking energy: -496.779 Base-Backbone interact. energy: -1.174 local terms energy: -508.562164 where: bonds (distance) C4'-P energy: -87.665 bonds (distance) P-C4' energy: -82.793 flat angles C4'-P-C4' energy: -110.429 flat angles P-C4'-P energy: -79.076 tors. eta vs tors. theta energy: -148.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -1634.965331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.965331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.965331 (E_RNA) where: Base-Base interactions energy: -1132.644 where: short stacking energy: -464.445 Base-Backbone interact. energy: -3.243 local terms energy: -499.077759 where: bonds (distance) C4'-P energy: -86.817 bonds (distance) P-C4' energy: -93.244 flat angles C4'-P-C4' energy: -109.268 flat angles P-C4'-P energy: -73.090 tors. eta vs tors. theta energy: -136.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1561.918532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.918532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.918532 (E_RNA) where: Base-Base interactions energy: -1095.840 where: short stacking energy: -452.774 Base-Backbone interact. energy: -1.422 local terms energy: -464.656085 where: bonds (distance) C4'-P energy: -92.753 bonds (distance) P-C4' energy: -74.147 flat angles C4'-P-C4' energy: -97.525 flat angles P-C4'-P energy: -67.148 tors. eta vs tors. theta energy: -133.084 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: 4 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1508.989341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.989341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.989341 (E_RNA) where: Base-Base interactions energy: -1050.026 where: short stacking energy: -428.177 Base-Backbone interact. energy: -1.786 local terms energy: -457.177686 where: bonds (distance) C4'-P energy: -82.476 bonds (distance) P-C4' energy: -82.878 flat angles C4'-P-C4' energy: -100.931 flat angles P-C4'-P energy: -59.616 tors. eta vs tors. theta energy: -131.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1282.496548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.496548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.496548 (E_RNA) where: Base-Base interactions energy: -842.982 where: short stacking energy: -352.303 Base-Backbone interact. energy: -1.092 local terms energy: -438.422726 where: bonds (distance) C4'-P energy: -101.583 bonds (distance) P-C4' energy: -78.646 flat angles C4'-P-C4' energy: -95.247 flat angles P-C4'-P energy: -61.350 tors. eta vs tors. theta energy: -101.597 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: 5 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1320.000796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.000796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.000796 (E_RNA) where: Base-Base interactions energy: -923.525 where: short stacking energy: -361.742 Base-Backbone interact. energy: -0.907 local terms energy: -395.569346 where: bonds (distance) C4'-P energy: -75.129 bonds (distance) P-C4' energy: -80.879 flat angles C4'-P-C4' energy: -87.768 flat angles P-C4'-P energy: -53.349 tors. eta vs tors. theta energy: -98.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -1097.745198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.745198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.745198 (E_RNA) where: Base-Base interactions energy: -755.336 where: short stacking energy: -332.019 Base-Backbone interact. energy: 0.100 local terms energy: -342.509497 where: bonds (distance) C4'-P energy: -65.909 bonds (distance) P-C4' energy: -70.345 flat angles C4'-P-C4' energy: -78.903 flat angles P-C4'-P energy: -55.014 tors. eta vs tors. theta energy: -72.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -1002.171689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.171689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.171689 (E_RNA) where: Base-Base interactions energy: -671.794 where: short stacking energy: -294.298 Base-Backbone interact. energy: 4.702 local terms energy: -335.078997 where: bonds (distance) C4'-P energy: -67.082 bonds (distance) P-C4' energy: -76.696 flat angles C4'-P-C4' energy: -80.039 flat angles P-C4'-P energy: -45.639 tors. eta vs tors. theta energy: -65.623 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: 2 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1908.575014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.575014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.575014 (E_RNA) where: Base-Base interactions energy: -1339.185 where: short stacking energy: -551.875 Base-Backbone interact. energy: -1.509 local terms energy: -567.880912 where: bonds (distance) C4'-P energy: -100.686 bonds (distance) P-C4' energy: -102.561 flat angles C4'-P-C4' energy: -115.440 flat angles P-C4'-P energy: -72.527 tors. eta vs tors. theta energy: -176.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1808.524581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.524581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.524581 (E_RNA) where: Base-Base interactions energy: -1293.162 where: short stacking energy: -511.329 Base-Backbone interact. energy: -0.842 local terms energy: -514.520413 where: bonds (distance) C4'-P energy: -93.370 bonds (distance) P-C4' energy: -88.318 flat angles C4'-P-C4' energy: -112.888 flat angles P-C4'-P energy: -71.290 tors. eta vs tors. theta energy: -148.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1785.592035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.592035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.592035 (E_RNA) where: Base-Base interactions energy: -1257.790 where: short stacking energy: -493.499 Base-Backbone interact. energy: 4.311 local terms energy: -532.112798 where: bonds (distance) C4'-P energy: -95.935 bonds (distance) P-C4' energy: -95.067 flat angles C4'-P-C4' energy: -102.155 flat angles P-C4'-P energy: -82.607 tors. eta vs tors. theta energy: -156.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1651.276369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.276369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.276369 (E_RNA) where: Base-Base interactions energy: -1146.575 where: short stacking energy: -475.340 Base-Backbone interact. energy: -2.277 local terms energy: -502.424176 where: bonds (distance) C4'-P energy: -94.127 bonds (distance) P-C4' energy: -89.057 flat angles C4'-P-C4' energy: -105.790 flat angles P-C4'-P energy: -67.808 tors. eta vs tors. theta energy: -145.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1561.096958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.096958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.096958 (E_RNA) where: Base-Base interactions energy: -1081.595 where: short stacking energy: -444.639 Base-Backbone interact. energy: -0.945 local terms energy: -478.557590 where: bonds (distance) C4'-P energy: -84.809 bonds (distance) P-C4' energy: -72.424 flat angles C4'-P-C4' energy: -105.812 flat angles P-C4'-P energy: -74.944 tors. eta vs tors. theta energy: -140.568 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: 4 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1478.535175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.535175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.535175 (E_RNA) where: Base-Base interactions energy: -1020.114 where: short stacking energy: -412.924 Base-Backbone interact. energy: -0.789 local terms energy: -457.631991 where: bonds (distance) C4'-P energy: -74.783 bonds (distance) P-C4' energy: -83.702 flat angles C4'-P-C4' energy: -104.370 flat angles P-C4'-P energy: -65.225 tors. eta vs tors. theta energy: -129.551 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: 1 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1309.308948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.308948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.308948 (E_RNA) where: Base-Base interactions energy: -896.154 where: short stacking energy: -375.905 Base-Backbone interact. energy: -0.882 local terms energy: -412.273818 where: bonds (distance) C4'-P energy: -83.197 bonds (distance) P-C4' energy: -87.513 flat angles C4'-P-C4' energy: -83.684 flat angles P-C4'-P energy: -50.412 tors. eta vs tors. theta energy: -107.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1291.477515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.477515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.477515 (E_RNA) where: Base-Base interactions energy: -878.216 where: short stacking energy: -359.657 Base-Backbone interact. energy: -3.882 local terms energy: -409.379270 where: bonds (distance) C4'-P energy: -83.172 bonds (distance) P-C4' energy: -70.349 flat angles C4'-P-C4' energy: -98.074 flat angles P-C4'-P energy: -48.981 tors. eta vs tors. theta energy: -108.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -1111.400469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.400469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.400469 (E_RNA) where: Base-Base interactions energy: -742.059 where: short stacking energy: -327.464 Base-Backbone interact. energy: 3.200 local terms energy: -372.541539 where: bonds (distance) C4'-P energy: -81.170 bonds (distance) P-C4' energy: -80.298 flat angles C4'-P-C4' energy: -77.493 flat angles P-C4'-P energy: -48.656 tors. eta vs tors. theta energy: -84.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -998.569053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.569053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.569053 (E_RNA) where: Base-Base interactions energy: -641.218 where: short stacking energy: -266.442 Base-Backbone interact. energy: -0.946 local terms energy: -356.405785 where: bonds (distance) C4'-P energy: -68.362 bonds (distance) P-C4' energy: -98.812 flat angles C4'-P-C4' energy: -78.634 flat angles P-C4'-P energy: -46.027 tors. eta vs tors. theta energy: -64.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1912.416396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.416396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.416396 (E_RNA) where: Base-Base interactions energy: -1359.153 where: short stacking energy: -553.103 Base-Backbone interact. energy: -1.820 local terms energy: -551.443238 where: bonds (distance) C4'-P energy: -97.238 bonds (distance) P-C4' energy: -95.220 flat angles C4'-P-C4' energy: -110.038 flat angles P-C4'-P energy: -72.659 tors. eta vs tors. theta energy: -176.288 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: 8 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1805.938245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.938245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.938245 (E_RNA) where: Base-Base interactions energy: -1272.760 where: short stacking energy: -512.355 Base-Backbone interact. energy: -1.251 local terms energy: -531.926895 where: bonds (distance) C4'-P energy: -89.273 bonds (distance) P-C4' energy: -98.599 flat angles C4'-P-C4' energy: -116.248 flat angles P-C4'-P energy: -74.151 tors. eta vs tors. theta energy: -153.657 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: 3 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1787.116281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.116281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.116281 (E_RNA) where: Base-Base interactions energy: -1250.917 where: short stacking energy: -504.638 Base-Backbone interact. energy: -1.934 local terms energy: -534.264475 where: bonds (distance) C4'-P energy: -88.331 bonds (distance) P-C4' energy: -100.002 flat angles C4'-P-C4' energy: -117.114 flat angles P-C4'-P energy: -77.041 tors. eta vs tors. theta energy: -151.776 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: 4, replica: 6 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1646.114122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.114122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.114122 (E_RNA) where: Base-Base interactions energy: -1165.634 where: short stacking energy: -467.128 Base-Backbone interact. energy: -1.015 local terms energy: -479.464607 where: bonds (distance) C4'-P energy: -76.568 bonds (distance) P-C4' energy: -87.310 flat angles C4'-P-C4' energy: -107.701 flat angles P-C4'-P energy: -71.066 tors. eta vs tors. theta energy: -136.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1576.838367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.838367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.838367 (E_RNA) where: Base-Base interactions energy: -1114.472 where: short stacking energy: -460.536 Base-Backbone interact. energy: -0.984 local terms energy: -461.382722 where: bonds (distance) C4'-P energy: -68.793 bonds (distance) P-C4' energy: -78.472 flat angles C4'-P-C4' energy: -92.430 flat angles P-C4'-P energy: -65.553 tors. eta vs tors. theta energy: -156.134 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: 4 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1475.173135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.173135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.173135 (E_RNA) where: Base-Base interactions energy: -1033.995 where: short stacking energy: -430.048 Base-Backbone interact. energy: 1.393 local terms energy: -442.570381 where: bonds (distance) C4'-P energy: -88.963 bonds (distance) P-C4' energy: -74.594 flat angles C4'-P-C4' energy: -95.169 flat angles P-C4'-P energy: -60.071 tors. eta vs tors. theta energy: -123.774 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: 1 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1306.528422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.528422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.528422 (E_RNA) where: Base-Base interactions energy: -889.846 where: short stacking energy: -377.687 Base-Backbone interact. energy: -0.720 local terms energy: -415.961765 where: bonds (distance) C4'-P energy: -76.990 bonds (distance) P-C4' energy: -77.293 flat angles C4'-P-C4' energy: -98.936 flat angles P-C4'-P energy: -57.975 tors. eta vs tors. theta energy: -104.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1280.755597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.755597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.755597 (E_RNA) where: Base-Base interactions energy: -874.592 where: short stacking energy: -361.293 Base-Backbone interact. energy: 5.190 local terms energy: -411.353413 where: bonds (distance) C4'-P energy: -84.599 bonds (distance) P-C4' energy: -80.177 flat angles C4'-P-C4' energy: -90.043 flat angles P-C4'-P energy: -60.622 tors. eta vs tors. theta energy: -95.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -1045.254012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.254012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.254012 (E_RNA) where: Base-Base interactions energy: -706.109 where: short stacking energy: -295.329 Base-Backbone interact. energy: 2.873 local terms energy: -342.018563 where: bonds (distance) C4'-P energy: -78.378 bonds (distance) P-C4' energy: -77.754 flat angles C4'-P-C4' energy: -82.618 flat angles P-C4'-P energy: -45.614 tors. eta vs tors. theta energy: -57.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -1059.374780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.374780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.374780 (E_RNA) where: Base-Base interactions energy: -700.633 where: short stacking energy: -281.780 Base-Backbone interact. energy: 1.357 local terms energy: -360.098847 where: bonds (distance) C4'-P energy: -76.971 bonds (distance) P-C4' energy: -87.202 flat angles C4'-P-C4' energy: -83.344 flat angles P-C4'-P energy: -49.708 tors. eta vs tors. theta energy: -62.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1912.757437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.757437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.757437 (E_RNA) where: Base-Base interactions energy: -1365.407 where: short stacking energy: -546.856 Base-Backbone interact. energy: -1.949 local terms energy: -545.402140 where: bonds (distance) C4'-P energy: -86.128 bonds (distance) P-C4' energy: -88.888 flat angles C4'-P-C4' energy: -105.887 flat angles P-C4'-P energy: -86.156 tors. eta vs tors. theta energy: -178.343 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: 8 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1819.046309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.046309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.046309 (E_RNA) where: Base-Base interactions energy: -1288.577 where: short stacking energy: -515.964 Base-Backbone interact. energy: -1.418 local terms energy: -529.050722 where: bonds (distance) C4'-P energy: -92.198 bonds (distance) P-C4' energy: -91.694 flat angles C4'-P-C4' energy: -109.503 flat angles P-C4'-P energy: -74.692 tors. eta vs tors. theta energy: -160.964 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: 3 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1761.944956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.944956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.944956 (E_RNA) where: Base-Base interactions energy: -1246.356 where: short stacking energy: -498.411 Base-Backbone interact. energy: 3.438 local terms energy: -519.026744 where: bonds (distance) C4'-P energy: -87.543 bonds (distance) P-C4' energy: -88.892 flat angles C4'-P-C4' energy: -107.978 flat angles P-C4'-P energy: -76.231 tors. eta vs tors. theta energy: -158.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1621.667664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.667664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.667664 (E_RNA) where: Base-Base interactions energy: -1122.476 where: short stacking energy: -454.285 Base-Backbone interact. energy: -1.205 local terms energy: -497.986563 where: bonds (distance) C4'-P energy: -86.611 bonds (distance) P-C4' energy: -91.490 flat angles C4'-P-C4' energy: -102.704 flat angles P-C4'-P energy: -72.918 tors. eta vs tors. theta energy: -144.264 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: 7 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1575.212001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.212001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.212001 (E_RNA) where: Base-Base interactions energy: -1104.049 where: short stacking energy: -435.275 Base-Backbone interact. energy: -0.492 local terms energy: -470.671429 where: bonds (distance) C4'-P energy: -80.637 bonds (distance) P-C4' energy: -93.347 flat angles C4'-P-C4' energy: -89.560 flat angles P-C4'-P energy: -70.380 tors. eta vs tors. theta energy: -136.748 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: 4 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1533.607237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.607237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.607237 (E_RNA) where: Base-Base interactions energy: -1065.683 where: short stacking energy: -426.986 Base-Backbone interact. energy: -0.360 local terms energy: -467.564527 where: bonds (distance) C4'-P energy: -81.566 bonds (distance) P-C4' energy: -89.102 flat angles C4'-P-C4' energy: -97.722 flat angles P-C4'-P energy: -66.221 tors. eta vs tors. theta energy: -132.955 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: 7, replica: 5 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1305.571762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.571762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.571762 (E_RNA) where: Base-Base interactions energy: -904.529 where: short stacking energy: -360.394 Base-Backbone interact. energy: -0.646 local terms energy: -400.397521 where: bonds (distance) C4'-P energy: -74.462 bonds (distance) P-C4' energy: -86.597 flat angles C4'-P-C4' energy: -85.894 flat angles P-C4'-P energy: -55.492 tors. eta vs tors. theta energy: -97.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1279.407360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.407360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.407360 (E_RNA) where: Base-Base interactions energy: -873.936 where: short stacking energy: -371.607 Base-Backbone interact. energy: 1.146 local terms energy: -406.617461 where: bonds (distance) C4'-P energy: -79.386 bonds (distance) P-C4' energy: -72.678 flat angles C4'-P-C4' energy: -88.437 flat angles P-C4'-P energy: -56.120 tors. eta vs tors. theta energy: -109.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -1090.039191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.039191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.039191 (E_RNA) where: Base-Base interactions energy: -714.537 where: short stacking energy: -325.036 Base-Backbone interact. energy: -0.334 local terms energy: -375.167672 where: bonds (distance) C4'-P energy: -78.964 bonds (distance) P-C4' energy: -81.230 flat angles C4'-P-C4' energy: -87.992 flat angles P-C4'-P energy: -47.983 tors. eta vs tors. theta energy: -78.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -969.677397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.677397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.677397 (E_RNA) where: Base-Base interactions energy: -656.259 where: short stacking energy: -281.138 Base-Backbone interact. energy: 1.675 local terms energy: -315.092645 where: bonds (distance) C4'-P energy: -52.358 bonds (distance) P-C4' energy: -75.206 flat angles C4'-P-C4' energy: -82.883 flat angles P-C4'-P energy: -47.352 tors. eta vs tors. theta energy: -57.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1917.359844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.359844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.359844 (E_RNA) where: Base-Base interactions energy: -1343.206 where: short stacking energy: -538.623 Base-Backbone interact. energy: -0.750 local terms energy: -573.403104 where: bonds (distance) C4'-P energy: -94.093 bonds (distance) P-C4' energy: -99.748 flat angles C4'-P-C4' energy: -115.892 flat angles P-C4'-P energy: -88.052 tors. eta vs tors. theta energy: -175.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1780.006998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.006998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.006998 (E_RNA) where: Base-Base interactions energy: -1249.317 where: short stacking energy: -500.178 Base-Backbone interact. energy: 3.001 local terms energy: -533.691209 where: bonds (distance) C4'-P energy: -87.287 bonds (distance) P-C4' energy: -97.013 flat angles C4'-P-C4' energy: -110.126 flat angles P-C4'-P energy: -78.849 tors. eta vs tors. theta energy: -160.417 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: 8 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1793.367956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.367956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.367956 (E_RNA) where: Base-Base interactions energy: -1260.647 where: short stacking energy: -505.638 Base-Backbone interact. energy: -0.149 local terms energy: -532.572177 where: bonds (distance) C4'-P energy: -84.499 bonds (distance) P-C4' energy: -98.310 flat angles C4'-P-C4' energy: -112.154 flat angles P-C4'-P energy: -80.379 tors. eta vs tors. theta energy: -157.229 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: 7 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1598.875982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.875982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.875982 (E_RNA) where: Base-Base interactions energy: -1126.793 where: short stacking energy: -446.606 Base-Backbone interact. energy: -1.580 local terms energy: -470.503216 where: bonds (distance) C4'-P energy: -69.119 bonds (distance) P-C4' energy: -73.549 flat angles C4'-P-C4' energy: -114.899 flat angles P-C4'-P energy: -72.324 tors. eta vs tors. theta energy: -140.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1579.921456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.921456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.921456 (E_RNA) where: Base-Base interactions energy: -1106.120 where: short stacking energy: -448.577 Base-Backbone interact. energy: 2.765 local terms energy: -476.565618 where: bonds (distance) C4'-P energy: -92.690 bonds (distance) P-C4' energy: -92.709 flat angles C4'-P-C4' energy: -96.765 flat angles P-C4'-P energy: -66.707 tors. eta vs tors. theta energy: -127.695 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: 4 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1407.297266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.297266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.297266 (E_RNA) where: Base-Base interactions energy: -972.003 where: short stacking energy: -397.695 Base-Backbone interact. energy: 1.230 local terms energy: -436.524703 where: bonds (distance) C4'-P energy: -71.709 bonds (distance) P-C4' energy: -89.947 flat angles C4'-P-C4' energy: -91.683 flat angles P-C4'-P energy: -66.790 tors. eta vs tors. theta energy: -116.395 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: 391 Temperature: 1.200000 Total energy: -1324.277783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.277783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.277783 (E_RNA) where: Base-Base interactions energy: -878.451 where: short stacking energy: -370.252 Base-Backbone interact. energy: 2.493 local terms energy: -448.319149 where: bonds (distance) C4'-P energy: -89.638 bonds (distance) P-C4' energy: -92.915 flat angles C4'-P-C4' energy: -99.849 flat angles P-C4'-P energy: -66.947 tors. eta vs tors. theta energy: -98.970 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: 1 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1260.759361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.759361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.759361 (E_RNA) where: Base-Base interactions energy: -880.390 where: short stacking energy: -367.144 Base-Backbone interact. energy: -1.347 local terms energy: -379.022405 where: bonds (distance) C4'-P energy: -73.478 bonds (distance) P-C4' energy: -57.520 flat angles C4'-P-C4' energy: -79.414 flat angles P-C4'-P energy: -64.813 tors. eta vs tors. theta energy: -103.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -1051.723606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.723606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.723606 (E_RNA) where: Base-Base interactions energy: -689.708 where: short stacking energy: -293.838 Base-Backbone interact. energy: 0.070 local terms energy: -362.085137 where: bonds (distance) C4'-P energy: -77.511 bonds (distance) P-C4' energy: -86.159 flat angles C4'-P-C4' energy: -76.402 flat angles P-C4'-P energy: -54.505 tors. eta vs tors. theta energy: -67.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -965.362041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.362041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.362041 (E_RNA) where: Base-Base interactions energy: -645.382 where: short stacking energy: -278.269 Base-Backbone interact. energy: -0.185 local terms energy: -319.795152 where: bonds (distance) C4'-P energy: -77.570 bonds (distance) P-C4' energy: -72.379 flat angles C4'-P-C4' energy: -56.526 flat angles P-C4'-P energy: -55.458 tors. eta vs tors. theta energy: -57.863 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: 2 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1935.463502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.463502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.463502 (E_RNA) where: Base-Base interactions energy: -1366.376 where: short stacking energy: -547.530 Base-Backbone interact. energy: -0.450 local terms energy: -568.638215 where: bonds (distance) C4'-P energy: -104.919 bonds (distance) P-C4' energy: -100.848 flat angles C4'-P-C4' energy: -106.984 flat angles P-C4'-P energy: -82.264 tors. eta vs tors. theta energy: -173.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1773.911209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.911209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.911209 (E_RNA) where: Base-Base interactions energy: -1246.740 where: short stacking energy: -501.046 Base-Backbone interact. energy: 0.062 local terms energy: -527.233085 where: bonds (distance) C4'-P energy: -95.004 bonds (distance) P-C4' energy: -91.484 flat angles C4'-P-C4' energy: -109.095 flat angles P-C4'-P energy: -78.772 tors. eta vs tors. theta energy: -152.879 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: 8 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1769.597896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.597896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.597896 (E_RNA) where: Base-Base interactions energy: -1240.363 where: short stacking energy: -508.663 Base-Backbone interact. energy: -1.201 local terms energy: -528.034130 where: bonds (distance) C4'-P energy: -91.268 bonds (distance) P-C4' energy: -94.345 flat angles C4'-P-C4' energy: -109.448 flat angles P-C4'-P energy: -80.463 tors. eta vs tors. theta energy: -152.510 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: 7 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1627.074302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.074302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.074302 (E_RNA) where: Base-Base interactions energy: -1135.473 where: short stacking energy: -462.133 Base-Backbone interact. energy: -1.573 local terms energy: -490.027968 where: bonds (distance) C4'-P energy: -87.166 bonds (distance) P-C4' energy: -87.271 flat angles C4'-P-C4' energy: -108.101 flat angles P-C4'-P energy: -72.403 tors. eta vs tors. theta energy: -135.087 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: 5, replica: 6 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1591.213390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.213390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.213390 (E_RNA) where: Base-Base interactions energy: -1108.807 where: short stacking energy: -455.193 Base-Backbone interact. energy: -1.180 local terms energy: -481.226068 where: bonds (distance) C4'-P energy: -76.295 bonds (distance) P-C4' energy: -93.468 flat angles C4'-P-C4' energy: -101.008 flat angles P-C4'-P energy: -73.827 tors. eta vs tors. theta energy: -136.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1478.381834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.381834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.381834 (E_RNA) where: Base-Base interactions energy: -998.057 where: short stacking energy: -412.142 Base-Backbone interact. energy: -0.528 local terms energy: -479.796688 where: bonds (distance) C4'-P energy: -93.337 bonds (distance) P-C4' energy: -94.336 flat angles C4'-P-C4' energy: -101.884 flat angles P-C4'-P energy: -68.258 tors. eta vs tors. theta energy: -121.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1320.119037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.119037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.119037 (E_RNA) where: Base-Base interactions energy: -905.967 where: short stacking energy: -385.281 Base-Backbone interact. energy: 3.055 local terms energy: -417.207076 where: bonds (distance) C4'-P energy: -79.766 bonds (distance) P-C4' energy: -87.243 flat angles C4'-P-C4' energy: -95.906 flat angles P-C4'-P energy: -53.183 tors. eta vs tors. theta energy: -101.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1262.985397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.985397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.985397 (E_RNA) where: Base-Base interactions energy: -843.107 where: short stacking energy: -357.793 Base-Backbone interact. energy: -1.455 local terms energy: -418.423351 where: bonds (distance) C4'-P energy: -80.905 bonds (distance) P-C4' energy: -83.008 flat angles C4'-P-C4' energy: -91.443 flat angles P-C4'-P energy: -53.099 tors. eta vs tors. theta energy: -109.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1046.105777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.105777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.105777 (E_RNA) where: Base-Base interactions energy: -689.666 where: short stacking energy: -291.172 Base-Backbone interact. energy: -2.324 local terms energy: -354.115929 where: bonds (distance) C4'-P energy: -86.620 bonds (distance) P-C4' energy: -63.790 flat angles C4'-P-C4' energy: -91.344 flat angles P-C4'-P energy: -47.424 tors. eta vs tors. theta energy: -64.939 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: 10 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -1005.966239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.966239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.966239 (E_RNA) where: Base-Base interactions energy: -667.338 where: short stacking energy: -283.927 Base-Backbone interact. energy: 1.409 local terms energy: -340.037077 where: bonds (distance) C4'-P energy: -73.961 bonds (distance) P-C4' energy: -64.857 flat angles C4'-P-C4' energy: -81.684 flat angles P-C4'-P energy: -55.599 tors. eta vs tors. theta energy: -63.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1910.780806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.780806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.780806 (E_RNA) where: Base-Base interactions energy: -1333.435 where: short stacking energy: -529.890 Base-Backbone interact. energy: 2.695 local terms energy: -580.040505 where: bonds (distance) C4'-P energy: -105.260 bonds (distance) P-C4' energy: -97.718 flat angles C4'-P-C4' energy: -110.314 flat angles P-C4'-P energy: -91.540 tors. eta vs tors. theta energy: -175.209 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: 3 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1772.356273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.356273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.356273 (E_RNA) where: Base-Base interactions energy: -1250.942 where: short stacking energy: -520.690 Base-Backbone interact. energy: -1.173 local terms energy: -520.242019 where: bonds (distance) C4'-P energy: -91.897 bonds (distance) P-C4' energy: -85.097 flat angles C4'-P-C4' energy: -111.137 flat angles P-C4'-P energy: -69.023 tors. eta vs tors. theta energy: -163.089 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: 8 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1772.638229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.638229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.638229 (E_RNA) where: Base-Base interactions energy: -1237.443 where: short stacking energy: -495.009 Base-Backbone interact. energy: -0.654 local terms energy: -534.540905 where: bonds (distance) C4'-P energy: -101.937 bonds (distance) P-C4' energy: -100.324 flat angles C4'-P-C4' energy: -109.178 flat angles P-C4'-P energy: -77.092 tors. eta vs tors. theta energy: -146.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1646.443262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.443262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.443262 (E_RNA) where: Base-Base interactions energy: -1134.579 where: short stacking energy: -462.476 Base-Backbone interact. energy: -2.151 local terms energy: -509.713015 where: bonds (distance) C4'-P energy: -93.158 bonds (distance) P-C4' energy: -85.685 flat angles C4'-P-C4' energy: -106.178 flat angles P-C4'-P energy: -77.956 tors. eta vs tors. theta energy: -146.736 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: 7 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1573.448375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.448375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.448375 (E_RNA) where: Base-Base interactions energy: -1085.368 where: short stacking energy: -445.588 Base-Backbone interact. energy: -1.689 local terms energy: -486.391354 where: bonds (distance) C4'-P energy: -72.322 bonds (distance) P-C4' energy: -99.843 flat angles C4'-P-C4' energy: -98.109 flat angles P-C4'-P energy: -67.665 tors. eta vs tors. theta energy: -148.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1484.972492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.972492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.972492 (E_RNA) where: Base-Base interactions energy: -1011.589 where: short stacking energy: -403.384 Base-Backbone interact. energy: -1.902 local terms energy: -471.481211 where: bonds (distance) C4'-P energy: -92.067 bonds (distance) P-C4' energy: -89.191 flat angles C4'-P-C4' energy: -94.206 flat angles P-C4'-P energy: -72.757 tors. eta vs tors. theta energy: -123.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1318.857633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.857633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.857633 (E_RNA) where: Base-Base interactions energy: -896.336 where: short stacking energy: -360.049 Base-Backbone interact. energy: -2.358 local terms energy: -420.163217 where: bonds (distance) C4'-P energy: -76.990 bonds (distance) P-C4' energy: -86.856 flat angles C4'-P-C4' energy: -96.039 flat angles P-C4'-P energy: -66.843 tors. eta vs tors. theta energy: -93.436 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: 8, replica: 1 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1273.662010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.662010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.662010 (E_RNA) where: Base-Base interactions energy: -868.251 where: short stacking energy: -370.734 Base-Backbone interact. energy: -0.859 local terms energy: -404.552129 where: bonds (distance) C4'-P energy: -80.192 bonds (distance) P-C4' energy: -72.615 flat angles C4'-P-C4' energy: -97.064 flat angles P-C4'-P energy: -50.666 tors. eta vs tors. theta energy: -104.016 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: 9 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -1033.052434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.052434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.052434 (E_RNA) where: Base-Base interactions energy: -666.421 where: short stacking energy: -276.340 Base-Backbone interact. energy: -2.812 local terms energy: -363.819490 where: bonds (distance) C4'-P energy: -82.246 bonds (distance) P-C4' energy: -69.871 flat angles C4'-P-C4' energy: -99.877 flat angles P-C4'-P energy: -56.131 tors. eta vs tors. theta energy: -55.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -1008.507942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.507942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.507942 (E_RNA) where: Base-Base interactions energy: -653.438 where: short stacking energy: -283.660 Base-Backbone interact. energy: -0.188 local terms energy: -354.881722 where: bonds (distance) C4'-P energy: -75.973 bonds (distance) P-C4' energy: -82.479 flat angles C4'-P-C4' energy: -92.965 flat angles P-C4'-P energy: -50.665 tors. eta vs tors. theta energy: -52.800 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: 1, replica: 2 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1921.884020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.884020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.884020 (E_RNA) where: Base-Base interactions energy: -1350.204 where: short stacking energy: -545.880 Base-Backbone interact. energy: 2.121 local terms energy: -573.801289 where: bonds (distance) C4'-P energy: -106.731 bonds (distance) P-C4' energy: -88.355 flat angles C4'-P-C4' energy: -113.480 flat angles P-C4'-P energy: -90.340 tors. eta vs tors. theta energy: -174.896 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: 3 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1771.300351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.300351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.300351 (E_RNA) where: Base-Base interactions energy: -1237.794 where: short stacking energy: -510.700 Base-Backbone interact. energy: 0.023 local terms energy: -533.529484 where: bonds (distance) C4'-P energy: -93.848 bonds (distance) P-C4' energy: -100.935 flat angles C4'-P-C4' energy: -105.902 flat angles P-C4'-P energy: -78.594 tors. eta vs tors. theta energy: -154.251 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: 8 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1773.979643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.979643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.979643 (E_RNA) where: Base-Base interactions energy: -1250.227 where: short stacking energy: -508.093 Base-Backbone interact. energy: -0.867 local terms energy: -522.885291 where: bonds (distance) C4'-P energy: -87.013 bonds (distance) P-C4' energy: -89.798 flat angles C4'-P-C4' energy: -114.080 flat angles P-C4'-P energy: -78.453 tors. eta vs tors. theta energy: -153.542 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: 4, replica: 6 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1639.367929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.367929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.367929 (E_RNA) where: Base-Base interactions energy: -1157.421 where: short stacking energy: -462.455 Base-Backbone interact. energy: 0.517 local terms energy: -482.463369 where: bonds (distance) C4'-P energy: -93.669 bonds (distance) P-C4' energy: -91.389 flat angles C4'-P-C4' energy: -97.320 flat angles P-C4'-P energy: -56.761 tors. eta vs tors. theta energy: -143.326 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: 7 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1586.845374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.845374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.845374 (E_RNA) where: Base-Base interactions energy: -1118.236 where: short stacking energy: -462.226 Base-Backbone interact. energy: 0.481 local terms energy: -469.090417 where: bonds (distance) C4'-P energy: -83.704 bonds (distance) P-C4' energy: -85.096 flat angles C4'-P-C4' energy: -98.576 flat angles P-C4'-P energy: -59.932 tors. eta vs tors. theta energy: -141.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1468.999142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.999142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.999142 (E_RNA) where: Base-Base interactions energy: -1016.051 where: short stacking energy: -405.875 Base-Backbone interact. energy: 6.586 local terms energy: -459.534111 where: bonds (distance) C4'-P energy: -76.598 bonds (distance) P-C4' energy: -94.504 flat angles C4'-P-C4' energy: -98.300 flat angles P-C4'-P energy: -64.288 tors. eta vs tors. theta energy: -125.845 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: 5 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1356.908660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.908660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.908660 (E_RNA) where: Base-Base interactions energy: -925.884 where: short stacking energy: -388.358 Base-Backbone interact. energy: 0.943 local terms energy: -431.967617 where: bonds (distance) C4'-P energy: -69.291 bonds (distance) P-C4' energy: -74.161 flat angles C4'-P-C4' energy: -109.441 flat angles P-C4'-P energy: -60.495 tors. eta vs tors. theta energy: -118.579 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: 8, replica: 1 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1281.946960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.946960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.946960 (E_RNA) where: Base-Base interactions energy: -848.344 where: short stacking energy: -357.933 Base-Backbone interact. energy: 2.591 local terms energy: -436.193366 where: bonds (distance) C4'-P energy: -88.938 bonds (distance) P-C4' energy: -104.346 flat angles C4'-P-C4' energy: -81.175 flat angles P-C4'-P energy: -59.524 tors. eta vs tors. theta energy: -102.211 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: 9, replica: 10 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1005.814333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.814333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.814333 (E_RNA) where: Base-Base interactions energy: -629.603 where: short stacking energy: -259.975 Base-Backbone interact. energy: -1.089 local terms energy: -375.122422 where: bonds (distance) C4'-P energy: -82.135 bonds (distance) P-C4' energy: -82.986 flat angles C4'-P-C4' energy: -86.513 flat angles P-C4'-P energy: -64.281 tors. eta vs tors. theta energy: -59.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -1044.899669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.899669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.899669 (E_RNA) where: Base-Base interactions energy: -690.452 where: short stacking energy: -287.167 Base-Backbone interact. energy: 2.336 local terms energy: -356.783416 where: bonds (distance) C4'-P energy: -76.071 bonds (distance) P-C4' energy: -86.265 flat angles C4'-P-C4' energy: -79.209 flat angles P-C4'-P energy: -49.808 tors. eta vs tors. theta energy: -65.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1898.887102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.887102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.887102 (E_RNA) where: Base-Base interactions energy: -1348.928 where: short stacking energy: -537.497 Base-Backbone interact. energy: -1.304 local terms energy: -548.654742 where: bonds (distance) C4'-P energy: -86.465 bonds (distance) P-C4' energy: -95.024 flat angles C4'-P-C4' energy: -120.192 flat angles P-C4'-P energy: -75.651 tors. eta vs tors. theta energy: -171.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1793.200345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.200345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.200345 (E_RNA) where: Base-Base interactions energy: -1263.332 where: short stacking energy: -513.351 Base-Backbone interact. energy: -0.838 local terms energy: -529.030021 where: bonds (distance) C4'-P energy: -95.660 bonds (distance) P-C4' energy: -90.202 flat angles C4'-P-C4' energy: -108.836 flat angles P-C4'-P energy: -73.127 tors. eta vs tors. theta energy: -161.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1773.235501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.235501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.235501 (E_RNA) where: Base-Base interactions energy: -1259.874 where: short stacking energy: -480.587 Base-Backbone interact. energy: -0.553 local terms energy: -512.808272 where: bonds (distance) C4'-P energy: -76.242 bonds (distance) P-C4' energy: -90.848 flat angles C4'-P-C4' energy: -111.640 flat angles P-C4'-P energy: -84.430 tors. eta vs tors. theta energy: -149.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1616.824167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.824167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.824167 (E_RNA) where: Base-Base interactions energy: -1129.769 where: short stacking energy: -461.010 Base-Backbone interact. energy: -1.213 local terms energy: -485.842178 where: bonds (distance) C4'-P energy: -90.629 bonds (distance) P-C4' energy: -79.662 flat angles C4'-P-C4' energy: -102.834 flat angles P-C4'-P energy: -62.608 tors. eta vs tors. theta energy: -150.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1598.817015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.817015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.817015 (E_RNA) where: Base-Base interactions energy: -1146.570 where: short stacking energy: -443.760 Base-Backbone interact. energy: -0.239 local terms energy: -452.007646 where: bonds (distance) C4'-P energy: -71.469 bonds (distance) P-C4' energy: -80.895 flat angles C4'-P-C4' energy: -99.748 flat angles P-C4'-P energy: -62.167 tors. eta vs tors. theta energy: -137.729 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: 6, replica: 4 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1489.081420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.081420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.081420 (E_RNA) where: Base-Base interactions energy: -1033.452 where: short stacking energy: -427.223 Base-Backbone interact. energy: -0.676 local terms energy: -454.953373 where: bonds (distance) C4'-P energy: -75.634 bonds (distance) P-C4' energy: -84.377 flat angles C4'-P-C4' energy: -102.928 flat angles P-C4'-P energy: -65.710 tors. eta vs tors. theta energy: -126.305 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: 5 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1350.022093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.022093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.022093 (E_RNA) where: Base-Base interactions energy: -924.465 where: short stacking energy: -373.743 Base-Backbone interact. energy: -0.907 local terms energy: -424.649253 where: bonds (distance) C4'-P energy: -82.660 bonds (distance) P-C4' energy: -86.304 flat angles C4'-P-C4' energy: -95.934 flat angles P-C4'-P energy: -60.966 tors. eta vs tors. theta energy: -98.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1264.002621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.002621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.002621 (E_RNA) where: Base-Base interactions energy: -865.468 where: short stacking energy: -326.383 Base-Backbone interact. energy: 1.253 local terms energy: -399.788290 where: bonds (distance) C4'-P energy: -75.950 bonds (distance) P-C4' energy: -89.180 flat angles C4'-P-C4' energy: -89.656 flat angles P-C4'-P energy: -69.189 tors. eta vs tors. theta energy: -75.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -1017.745535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.745535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.745535 (E_RNA) where: Base-Base interactions energy: -663.748 where: short stacking energy: -277.431 Base-Backbone interact. energy: 4.064 local terms energy: -358.061577 where: bonds (distance) C4'-P energy: -67.491 bonds (distance) P-C4' energy: -90.653 flat angles C4'-P-C4' energy: -81.804 flat angles P-C4'-P energy: -58.749 tors. eta vs tors. theta energy: -59.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -1020.260689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.260689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.260689 (E_RNA) where: Base-Base interactions energy: -670.802 where: short stacking energy: -282.331 Base-Backbone interact. energy: 4.315 local terms energy: -353.773810 where: bonds (distance) C4'-P energy: -80.849 bonds (distance) P-C4' energy: -64.123 flat angles C4'-P-C4' energy: -87.376 flat angles P-C4'-P energy: -55.606 tors. eta vs tors. theta energy: -65.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1913.642997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.642997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.642997 (E_RNA) where: Base-Base interactions energy: -1358.187 where: short stacking energy: -546.192 Base-Backbone interact. energy: -1.265 local terms energy: -554.191380 where: bonds (distance) C4'-P energy: -100.328 bonds (distance) P-C4' energy: -93.333 flat angles C4'-P-C4' energy: -112.523 flat angles P-C4'-P energy: -78.917 tors. eta vs tors. theta energy: -169.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1785.515477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.515477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.515477 (E_RNA) where: Base-Base interactions energy: -1265.316 where: short stacking energy: -520.707 Base-Backbone interact. energy: 0.980 local terms energy: -521.178649 where: bonds (distance) C4'-P energy: -97.541 bonds (distance) P-C4' energy: -99.194 flat angles C4'-P-C4' energy: -106.221 flat angles P-C4'-P energy: -65.874 tors. eta vs tors. theta energy: -152.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1782.613487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.613487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.613487 (E_RNA) where: Base-Base interactions energy: -1256.315 where: short stacking energy: -489.159 Base-Backbone interact. energy: -0.684 local terms energy: -525.614521 where: bonds (distance) C4'-P energy: -89.740 bonds (distance) P-C4' energy: -91.552 flat angles C4'-P-C4' energy: -109.544 flat angles P-C4'-P energy: -84.139 tors. eta vs tors. theta energy: -150.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1657.923849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.923849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.923849 (E_RNA) where: Base-Base interactions energy: -1171.442 where: short stacking energy: -471.804 Base-Backbone interact. energy: 2.451 local terms energy: -488.933273 where: bonds (distance) C4'-P energy: -95.225 bonds (distance) P-C4' energy: -83.128 flat angles C4'-P-C4' energy: -103.535 flat angles P-C4'-P energy: -61.775 tors. eta vs tors. theta energy: -145.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1613.556968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.556968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.556968 (E_RNA) where: Base-Base interactions energy: -1142.212 where: short stacking energy: -457.078 Base-Backbone interact. energy: 1.988 local terms energy: -473.332859 where: bonds (distance) C4'-P energy: -74.906 bonds (distance) P-C4' energy: -82.121 flat angles C4'-P-C4' energy: -101.754 flat angles P-C4'-P energy: -70.403 tors. eta vs tors. theta energy: -144.148 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: 6, replica: 4 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1504.063532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.063532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.063532 (E_RNA) where: Base-Base interactions energy: -1049.006 where: short stacking energy: -446.520 Base-Backbone interact. energy: 1.029 local terms energy: -456.086779 where: bonds (distance) C4'-P energy: -76.540 bonds (distance) P-C4' energy: -72.347 flat angles C4'-P-C4' energy: -90.793 flat angles P-C4'-P energy: -75.813 tors. eta vs tors. theta energy: -140.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1270.209369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.209369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.209369 (E_RNA) where: Base-Base interactions energy: -865.661 where: short stacking energy: -353.129 Base-Backbone interact. energy: -1.366 local terms energy: -403.181860 where: bonds (distance) C4'-P energy: -60.069 bonds (distance) P-C4' energy: -89.972 flat angles C4'-P-C4' energy: -95.998 flat angles P-C4'-P energy: -63.480 tors. eta vs tors. theta energy: -93.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1275.008107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.008107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.008107 (E_RNA) where: Base-Base interactions energy: -872.356 where: short stacking energy: -362.457 Base-Backbone interact. energy: 1.038 local terms energy: -403.690042 where: bonds (distance) C4'-P energy: -67.974 bonds (distance) P-C4' energy: -87.453 flat angles C4'-P-C4' energy: -93.993 flat angles P-C4'-P energy: -50.485 tors. eta vs tors. theta energy: -103.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -1059.307032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.307032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.307032 (E_RNA) where: Base-Base interactions energy: -712.543 where: short stacking energy: -284.087 Base-Backbone interact. energy: -0.167 local terms energy: -346.596861 where: bonds (distance) C4'-P energy: -71.100 bonds (distance) P-C4' energy: -76.373 flat angles C4'-P-C4' energy: -89.146 flat angles P-C4'-P energy: -45.150 tors. eta vs tors. theta energy: -64.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -1063.062401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.062401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.062401 (E_RNA) where: Base-Base interactions energy: -723.773 where: short stacking energy: -301.716 Base-Backbone interact. energy: -0.571 local terms energy: -338.718588 where: bonds (distance) C4'-P energy: -75.863 bonds (distance) P-C4' energy: -81.180 flat angles C4'-P-C4' energy: -75.881 flat angles P-C4'-P energy: -40.916 tors. eta vs tors. theta energy: -64.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1904.801374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.801374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.801374 (E_RNA) where: Base-Base interactions energy: -1341.483 where: short stacking energy: -531.746 Base-Backbone interact. energy: -0.617 local terms energy: -562.701904 where: bonds (distance) C4'-P energy: -89.658 bonds (distance) P-C4' energy: -105.458 flat angles C4'-P-C4' energy: -113.919 flat angles P-C4'-P energy: -80.292 tors. eta vs tors. theta energy: -173.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1773.918953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.918953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.918953 (E_RNA) where: Base-Base interactions energy: -1252.914 where: short stacking energy: -504.663 Base-Backbone interact. energy: -1.258 local terms energy: -519.747496 where: bonds (distance) C4'-P energy: -96.843 bonds (distance) P-C4' energy: -84.116 flat angles C4'-P-C4' energy: -109.618 flat angles P-C4'-P energy: -78.488 tors. eta vs tors. theta energy: -150.682 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: 8 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1776.704902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.704902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.704902 (E_RNA) where: Base-Base interactions energy: -1276.817 where: short stacking energy: -500.038 Base-Backbone interact. energy: -0.466 local terms energy: -499.421927 where: bonds (distance) C4'-P energy: -87.090 bonds (distance) P-C4' energy: -80.052 flat angles C4'-P-C4' energy: -104.905 flat angles P-C4'-P energy: -75.072 tors. eta vs tors. theta energy: -152.304 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: 4, replica: 7 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1665.659807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.659807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.659807 (E_RNA) where: Base-Base interactions energy: -1162.033 where: short stacking energy: -488.887 Base-Backbone interact. energy: 1.557 local terms energy: -505.183903 where: bonds (distance) C4'-P energy: -77.204 bonds (distance) P-C4' energy: -89.446 flat angles C4'-P-C4' energy: -108.992 flat angles P-C4'-P energy: -73.952 tors. eta vs tors. theta energy: -155.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1648.507924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.507924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.507924 (E_RNA) where: Base-Base interactions energy: -1190.192 where: short stacking energy: -477.799 Base-Backbone interact. energy: -1.976 local terms energy: -456.339663 where: bonds (distance) C4'-P energy: -84.235 bonds (distance) P-C4' energy: -72.955 flat angles C4'-P-C4' energy: -104.724 flat angles P-C4'-P energy: -52.692 tors. eta vs tors. theta energy: -141.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1474.943042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.943042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.943042 (E_RNA) where: Base-Base interactions energy: -1028.917 where: short stacking energy: -407.498 Base-Backbone interact. energy: -0.113 local terms energy: -445.912428 where: bonds (distance) C4'-P energy: -79.900 bonds (distance) P-C4' energy: -79.030 flat angles C4'-P-C4' energy: -92.285 flat angles P-C4'-P energy: -72.253 tors. eta vs tors. theta energy: -122.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1302.401217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.401217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.401217 (E_RNA) where: Base-Base interactions energy: -861.163 where: short stacking energy: -355.374 Base-Backbone interact. energy: -1.323 local terms energy: -439.915741 where: bonds (distance) C4'-P energy: -77.284 bonds (distance) P-C4' energy: -108.750 flat angles C4'-P-C4' energy: -93.037 flat angles P-C4'-P energy: -62.155 tors. eta vs tors. theta energy: -98.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1148.069591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.069591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.069591 (E_RNA) where: Base-Base interactions energy: -755.236 where: short stacking energy: -318.127 Base-Backbone interact. energy: 0.513 local terms energy: -393.346776 where: bonds (distance) C4'-P energy: -76.806 bonds (distance) P-C4' energy: -79.008 flat angles C4'-P-C4' energy: -94.358 flat angles P-C4'-P energy: -65.616 tors. eta vs tors. theta energy: -77.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1227.887866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.887866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.887866 (E_RNA) where: Base-Base interactions energy: -842.199 where: short stacking energy: -329.332 Base-Backbone interact. energy: -0.654 local terms energy: -385.034380 where: bonds (distance) C4'-P energy: -70.134 bonds (distance) P-C4' energy: -70.122 flat angles C4'-P-C4' energy: -90.799 flat angles P-C4'-P energy: -66.055 tors. eta vs tors. theta energy: -87.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -1023.877222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.877222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.877222 (E_RNA) where: Base-Base interactions energy: -680.948 where: short stacking energy: -287.387 Base-Backbone interact. energy: -0.970 local terms energy: -341.959536 where: bonds (distance) C4'-P energy: -67.258 bonds (distance) P-C4' energy: -92.987 flat angles C4'-P-C4' energy: -80.847 flat angles P-C4'-P energy: -37.284 tors. eta vs tors. theta energy: -63.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1898.140259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.140259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.140259 (E_RNA) where: Base-Base interactions energy: -1350.901 where: short stacking energy: -521.474 Base-Backbone interact. energy: -0.964 local terms energy: -546.275495 where: bonds (distance) C4'-P energy: -100.093 bonds (distance) P-C4' energy: -90.303 flat angles C4'-P-C4' energy: -120.509 flat angles P-C4'-P energy: -72.972 tors. eta vs tors. theta energy: -162.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1785.078993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.078993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.078993 (E_RNA) where: Base-Base interactions energy: -1251.496 where: short stacking energy: -499.019 Base-Backbone interact. energy: -0.221 local terms energy: -533.362021 where: bonds (distance) C4'-P energy: -93.389 bonds (distance) P-C4' energy: -100.208 flat angles C4'-P-C4' energy: -104.860 flat angles P-C4'-P energy: -72.951 tors. eta vs tors. theta energy: -161.955 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: 8 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1775.637850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.637850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.637850 (E_RNA) where: Base-Base interactions energy: -1263.981 where: short stacking energy: -498.044 Base-Backbone interact. energy: -2.069 local terms energy: -509.587717 where: bonds (distance) C4'-P energy: -84.680 bonds (distance) P-C4' energy: -88.306 flat angles C4'-P-C4' energy: -107.479 flat angles P-C4'-P energy: -75.834 tors. eta vs tors. theta energy: -153.290 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: 398 Temperature: 1.050000 Total energy: -1692.029720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.029720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.029720 (E_RNA) where: Base-Base interactions energy: -1176.005 where: short stacking energy: -499.145 Base-Backbone interact. energy: -0.763 local terms energy: -515.261955 where: bonds (distance) C4'-P energy: -92.037 bonds (distance) P-C4' energy: -85.640 flat angles C4'-P-C4' energy: -101.678 flat angles P-C4'-P energy: -83.779 tors. eta vs tors. theta energy: -152.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1596.514205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.514205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.514205 (E_RNA) where: Base-Base interactions energy: -1110.789 where: short stacking energy: -442.176 Base-Backbone interact. energy: -0.976 local terms energy: -484.749846 where: bonds (distance) C4'-P energy: -90.447 bonds (distance) P-C4' energy: -88.600 flat angles C4'-P-C4' energy: -102.309 flat angles P-C4'-P energy: -68.151 tors. eta vs tors. theta energy: -135.244 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: 4 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1509.099197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.099197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.099197 (E_RNA) where: Base-Base interactions energy: -1035.471 where: short stacking energy: -432.027 Base-Backbone interact. energy: -1.362 local terms energy: -472.265777 where: bonds (distance) C4'-P energy: -86.211 bonds (distance) P-C4' energy: -82.116 flat angles C4'-P-C4' energy: -101.676 flat angles P-C4'-P energy: -62.009 tors. eta vs tors. theta energy: -140.254 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: 1 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1308.377057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.377057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.377057 (E_RNA) where: Base-Base interactions energy: -882.478 where: short stacking energy: -373.335 Base-Backbone interact. energy: -1.013 local terms energy: -424.886518 where: bonds (distance) C4'-P energy: -83.328 bonds (distance) P-C4' energy: -89.191 flat angles C4'-P-C4' energy: -89.925 flat angles P-C4'-P energy: -55.415 tors. eta vs tors. theta energy: -107.027 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: 10 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1203.774757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.774757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.774757 (E_RNA) where: Base-Base interactions energy: -797.961 where: short stacking energy: -336.568 Base-Backbone interact. energy: 4.575 local terms energy: -410.388341 where: bonds (distance) C4'-P energy: -97.178 bonds (distance) P-C4' energy: -63.149 flat angles C4'-P-C4' energy: -94.526 flat angles P-C4'-P energy: -73.951 tors. eta vs tors. theta energy: -81.584 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: 5 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -1219.677376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.677376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.677376 (E_RNA) where: Base-Base interactions energy: -849.703 where: short stacking energy: -362.755 Base-Backbone interact. energy: -0.387 local terms energy: -369.586950 where: bonds (distance) C4'-P energy: -52.803 bonds (distance) P-C4' energy: -76.774 flat angles C4'-P-C4' energy: -82.369 flat angles P-C4'-P energy: -64.070 tors. eta vs tors. theta energy: -93.571 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: 10, replica: 9 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -1061.025260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.025260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.025260 (E_RNA) where: Base-Base interactions energy: -741.240 where: short stacking energy: -303.626 Base-Backbone interact. energy: -1.536 local terms energy: -318.249194 where: bonds (distance) C4'-P energy: -63.902 bonds (distance) P-C4' energy: -80.882 flat angles C4'-P-C4' energy: -70.989 flat angles P-C4'-P energy: -29.245 tors. eta vs tors. theta energy: -73.231 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: 2 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1915.807355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.807355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.807355 (E_RNA) where: Base-Base interactions energy: -1359.588 where: short stacking energy: -543.516 Base-Backbone interact. energy: -1.752 local terms energy: -554.467323 where: bonds (distance) C4'-P energy: -97.330 bonds (distance) P-C4' energy: -91.224 flat angles C4'-P-C4' energy: -108.355 flat angles P-C4'-P energy: -86.960 tors. eta vs tors. theta energy: -170.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1789.194930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.194930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.194930 (E_RNA) where: Base-Base interactions energy: -1267.123 where: short stacking energy: -497.342 Base-Backbone interact. energy: -1.037 local terms energy: -521.034808 where: bonds (distance) C4'-P energy: -82.504 bonds (distance) P-C4' energy: -93.501 flat angles C4'-P-C4' energy: -110.764 flat angles P-C4'-P energy: -82.046 tors. eta vs tors. theta energy: -152.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1757.839894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.839894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.839894 (E_RNA) where: Base-Base interactions energy: -1238.574 where: short stacking energy: -478.893 Base-Backbone interact. energy: -0.062 local terms energy: -519.204197 where: bonds (distance) C4'-P energy: -97.478 bonds (distance) P-C4' energy: -80.792 flat angles C4'-P-C4' energy: -114.168 flat angles P-C4'-P energy: -78.566 tors. eta vs tors. theta energy: -148.200 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: 7 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1678.572441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.572441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.572441 (E_RNA) where: Base-Base interactions energy: -1160.745 where: short stacking energy: -470.246 Base-Backbone interact. energy: -2.189 local terms energy: -515.637937 where: bonds (distance) C4'-P energy: -81.779 bonds (distance) P-C4' energy: -91.313 flat angles C4'-P-C4' energy: -108.864 flat angles P-C4'-P energy: -79.577 tors. eta vs tors. theta energy: -154.105 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: 6 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1542.431349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.431349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.431349 (E_RNA) where: Base-Base interactions energy: -1090.557 where: short stacking energy: -430.916 Base-Backbone interact. energy: -0.904 local terms energy: -450.970292 where: bonds (distance) C4'-P energy: -84.947 bonds (distance) P-C4' energy: -92.534 flat angles C4'-P-C4' energy: -89.934 flat angles P-C4'-P energy: -63.686 tors. eta vs tors. theta energy: -119.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1495.154497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.154497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.154497 (E_RNA) where: Base-Base interactions energy: -1031.958 where: short stacking energy: -435.627 Base-Backbone interact. energy: 1.084 local terms energy: -464.279982 where: bonds (distance) C4'-P energy: -74.482 bonds (distance) P-C4' energy: -91.112 flat angles C4'-P-C4' energy: -104.082 flat angles P-C4'-P energy: -58.264 tors. eta vs tors. theta energy: -136.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1293.674634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.674634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.674634 (E_RNA) where: Base-Base interactions energy: -880.508 where: short stacking energy: -367.316 Base-Backbone interact. energy: -0.937 local terms energy: -412.229602 where: bonds (distance) C4'-P energy: -86.844 bonds (distance) P-C4' energy: -81.327 flat angles C4'-P-C4' energy: -101.608 flat angles P-C4'-P energy: -60.181 tors. eta vs tors. theta energy: -82.270 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: 5 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1232.685194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.685194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.685194 (E_RNA) where: Base-Base interactions energy: -823.204 where: short stacking energy: -337.376 Base-Backbone interact. energy: 0.612 local terms energy: -410.093878 where: bonds (distance) C4'-P energy: -77.356 bonds (distance) P-C4' energy: -90.939 flat angles C4'-P-C4' energy: -96.274 flat angles P-C4'-P energy: -49.754 tors. eta vs tors. theta energy: -95.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -1142.423503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.423503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.423503 (E_RNA) where: Base-Base interactions energy: -749.156 where: short stacking energy: -322.258 Base-Backbone interact. energy: -1.665 local terms energy: -391.602886 where: bonds (distance) C4'-P energy: -72.874 bonds (distance) P-C4' energy: -82.157 flat angles C4'-P-C4' energy: -94.362 flat angles P-C4'-P energy: -63.372 tors. eta vs tors. theta energy: -78.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -1065.815271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.815271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.815271 (E_RNA) where: Base-Base interactions energy: -702.752 where: short stacking energy: -296.766 Base-Backbone interact. energy: 1.447 local terms energy: -364.510738 where: bonds (distance) C4'-P energy: -77.753 bonds (distance) P-C4' energy: -80.098 flat angles C4'-P-C4' energy: -87.166 flat angles P-C4'-P energy: -56.074 tors. eta vs tors. theta energy: -63.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1912.330422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.330422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.330422 (E_RNA) where: Base-Base interactions energy: -1357.258 where: short stacking energy: -541.770 Base-Backbone interact. energy: 0.450 local terms energy: -555.522803 where: bonds (distance) C4'-P energy: -89.877 bonds (distance) P-C4' energy: -87.065 flat angles C4'-P-C4' energy: -122.222 flat angles P-C4'-P energy: -81.142 tors. eta vs tors. theta energy: -175.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1800.943366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.943366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.943366 (E_RNA) where: Base-Base interactions energy: -1282.885 where: short stacking energy: -494.626 Base-Backbone interact. energy: -0.171 local terms energy: -517.887417 where: bonds (distance) C4'-P energy: -96.589 bonds (distance) P-C4' energy: -95.830 flat angles C4'-P-C4' energy: -113.427 flat angles P-C4'-P energy: -70.118 tors. eta vs tors. theta energy: -141.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1757.467698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.467698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.467698 (E_RNA) where: Base-Base interactions energy: -1243.083 where: short stacking energy: -499.912 Base-Backbone interact. energy: -1.507 local terms energy: -512.877259 where: bonds (distance) C4'-P energy: -85.678 bonds (distance) P-C4' energy: -95.204 flat angles C4'-P-C4' energy: -110.906 flat angles P-C4'-P energy: -69.932 tors. eta vs tors. theta energy: -151.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1713.643396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.643396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.643396 (E_RNA) where: Base-Base interactions energy: -1194.271 where: short stacking energy: -487.915 Base-Backbone interact. energy: 0.225 local terms energy: -519.597861 where: bonds (distance) C4'-P energy: -85.162 bonds (distance) P-C4' energy: -96.000 flat angles C4'-P-C4' energy: -112.476 flat angles P-C4'-P energy: -73.062 tors. eta vs tors. theta energy: -152.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1589.733786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.733786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.733786 (E_RNA) where: Base-Base interactions energy: -1094.664 where: short stacking energy: -439.865 Base-Backbone interact. energy: -1.250 local terms energy: -493.820693 where: bonds (distance) C4'-P energy: -97.000 bonds (distance) P-C4' energy: -89.538 flat angles C4'-P-C4' energy: -103.576 flat angles P-C4'-P energy: -67.209 tors. eta vs tors. theta energy: -136.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1438.345883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.345883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.345883 (E_RNA) where: Base-Base interactions energy: -1001.634 where: short stacking energy: -402.681 Base-Backbone interact. energy: 4.375 local terms energy: -441.087500 where: bonds (distance) C4'-P energy: -80.374 bonds (distance) P-C4' energy: -89.921 flat angles C4'-P-C4' energy: -94.383 flat angles P-C4'-P energy: -63.493 tors. eta vs tors. theta energy: -112.915 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: 5 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1268.648083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.648083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.648083 (E_RNA) where: Base-Base interactions energy: -851.268 where: short stacking energy: -365.391 Base-Backbone interact. energy: -0.085 local terms energy: -417.294693 where: bonds (distance) C4'-P energy: -93.170 bonds (distance) P-C4' energy: -81.064 flat angles C4'-P-C4' energy: -86.798 flat angles P-C4'-P energy: -59.503 tors. eta vs tors. theta energy: -96.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1252.453776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.453776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.453776 (E_RNA) where: Base-Base interactions energy: -849.840 where: short stacking energy: -353.207 Base-Backbone interact. energy: 1.561 local terms energy: -404.174821 where: bonds (distance) C4'-P energy: -72.270 bonds (distance) P-C4' energy: -90.065 flat angles C4'-P-C4' energy: -86.565 flat angles P-C4'-P energy: -59.888 tors. eta vs tors. theta energy: -95.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -1056.355079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.355079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.355079 (E_RNA) where: Base-Base interactions energy: -689.211 where: short stacking energy: -304.598 Base-Backbone interact. energy: -1.023 local terms energy: -366.120933 where: bonds (distance) C4'-P energy: -79.959 bonds (distance) P-C4' energy: -74.872 flat angles C4'-P-C4' energy: -91.138 flat angles P-C4'-P energy: -50.973 tors. eta vs tors. theta energy: -69.179 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: 10 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -1068.591902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.591902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.591902 (E_RNA) where: Base-Base interactions energy: -716.076 where: short stacking energy: -305.161 Base-Backbone interact. energy: -2.422 local terms energy: -350.093515 where: bonds (distance) C4'-P energy: -73.691 bonds (distance) P-C4' energy: -67.437 flat angles C4'-P-C4' energy: -74.547 flat angles P-C4'-P energy: -61.597 tors. eta vs tors. theta energy: -72.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1898.490508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.490508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.490508 (E_RNA) where: Base-Base interactions energy: -1355.301 where: short stacking energy: -552.474 Base-Backbone interact. energy: -0.506 local terms energy: -542.683041 where: bonds (distance) C4'-P energy: -94.527 bonds (distance) P-C4' energy: -90.137 flat angles C4'-P-C4' energy: -111.187 flat angles P-C4'-P energy: -80.122 tors. eta vs tors. theta energy: -166.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1788.272517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.272517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.272517 (E_RNA) where: Base-Base interactions energy: -1241.927 where: short stacking energy: -506.174 Base-Backbone interact. energy: 1.040 local terms energy: -547.385092 where: bonds (distance) C4'-P energy: -109.010 bonds (distance) P-C4' energy: -99.995 flat angles C4'-P-C4' energy: -108.698 flat angles P-C4'-P energy: -80.808 tors. eta vs tors. theta energy: -148.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1763.450746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.450746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.450746 (E_RNA) where: Base-Base interactions energy: -1253.813 where: short stacking energy: -498.024 Base-Backbone interact. energy: -1.567 local terms energy: -508.071273 where: bonds (distance) C4'-P energy: -84.022 bonds (distance) P-C4' energy: -97.044 flat angles C4'-P-C4' energy: -100.367 flat angles P-C4'-P energy: -72.262 tors. eta vs tors. theta energy: -154.377 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: 7 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1673.165737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.165737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.165737 (E_RNA) where: Base-Base interactions energy: -1152.727 where: short stacking energy: -463.630 Base-Backbone interact. energy: 0.306 local terms energy: -520.744941 where: bonds (distance) C4'-P energy: -84.887 bonds (distance) P-C4' energy: -103.038 flat angles C4'-P-C4' energy: -115.695 flat angles P-C4'-P energy: -65.557 tors. eta vs tors. theta energy: -151.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1611.090110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.090110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.090110 (E_RNA) where: Base-Base interactions energy: -1135.726 where: short stacking energy: -464.402 Base-Backbone interact. energy: -1.983 local terms energy: -473.380933 where: bonds (distance) C4'-P energy: -86.221 bonds (distance) P-C4' energy: -86.254 flat angles C4'-P-C4' energy: -106.905 flat angles P-C4'-P energy: -60.786 tors. eta vs tors. theta energy: -133.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1492.338810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.338810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.338810 (E_RNA) where: Base-Base interactions energy: -1041.863 where: short stacking energy: -433.236 Base-Backbone interact. energy: -0.405 local terms energy: -450.070489 where: bonds (distance) C4'-P energy: -75.454 bonds (distance) P-C4' energy: -77.699 flat angles C4'-P-C4' energy: -95.727 flat angles P-C4'-P energy: -67.417 tors. eta vs tors. theta energy: -133.774 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: 401 Temperature: 1.200000 Total energy: -1271.529984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.529984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.529984 (E_RNA) where: Base-Base interactions energy: -846.138 where: short stacking energy: -351.521 Base-Backbone interact. energy: -0.954 local terms energy: -424.437874 where: bonds (distance) C4'-P energy: -83.902 bonds (distance) P-C4' energy: -77.110 flat angles C4'-P-C4' energy: -101.964 flat angles P-C4'-P energy: -58.072 tors. eta vs tors. theta energy: -103.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1221.448016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.448016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.448016 (E_RNA) where: Base-Base interactions energy: -823.173 where: short stacking energy: -343.969 Base-Backbone interact. energy: 0.391 local terms energy: -398.665814 where: bonds (distance) C4'-P energy: -87.083 bonds (distance) P-C4' energy: -69.711 flat angles C4'-P-C4' energy: -96.270 flat angles P-C4'-P energy: -52.422 tors. eta vs tors. theta energy: -93.181 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: 9 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -1067.172086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.172086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.172086 (E_RNA) where: Base-Base interactions energy: -684.849 where: short stacking energy: -287.194 Base-Backbone interact. energy: -0.772 local terms energy: -381.550689 where: bonds (distance) C4'-P energy: -85.439 bonds (distance) P-C4' energy: -90.404 flat angles C4'-P-C4' energy: -80.070 flat angles P-C4'-P energy: -53.442 tors. eta vs tors. theta energy: -72.195 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: 401 Temperature: 1.350000 Total energy: -1057.080324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.080324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.080324 (E_RNA) where: Base-Base interactions energy: -711.051 where: short stacking energy: -313.148 Base-Backbone interact. energy: 0.624 local terms energy: -346.653337 where: bonds (distance) C4'-P energy: -71.851 bonds (distance) P-C4' energy: -81.965 flat angles C4'-P-C4' energy: -85.612 flat angles P-C4'-P energy: -40.642 tors. eta vs tors. theta energy: -66.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1901.716672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.716672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.716672 (E_RNA) where: Base-Base interactions energy: -1344.024 where: short stacking energy: -543.332 Base-Backbone interact. energy: -1.374 local terms energy: -556.318166 where: bonds (distance) C4'-P energy: -100.123 bonds (distance) P-C4' energy: -93.330 flat angles C4'-P-C4' energy: -114.023 flat angles P-C4'-P energy: -80.702 tors. eta vs tors. theta energy: -168.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1817.169021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.169021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.169021 (E_RNA) where: Base-Base interactions energy: -1285.124 where: short stacking energy: -522.115 Base-Backbone interact. energy: -1.150 local terms energy: -530.895755 where: bonds (distance) C4'-P energy: -90.213 bonds (distance) P-C4' energy: -94.985 flat angles C4'-P-C4' energy: -112.964 flat angles P-C4'-P energy: -69.846 tors. eta vs tors. theta energy: -162.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1745.195920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.195920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.195920 (E_RNA) where: Base-Base interactions energy: -1218.998 where: short stacking energy: -497.754 Base-Backbone interact. energy: 5.105 local terms energy: -531.302934 where: bonds (distance) C4'-P energy: -91.707 bonds (distance) P-C4' energy: -98.117 flat angles C4'-P-C4' energy: -109.278 flat angles P-C4'-P energy: -79.918 tors. eta vs tors. theta energy: -152.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1681.722690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.722690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.722690 (E_RNA) where: Base-Base interactions energy: -1148.901 where: short stacking energy: -463.477 Base-Backbone interact. energy: -0.561 local terms energy: -532.260409 where: bonds (distance) C4'-P energy: -90.159 bonds (distance) P-C4' energy: -99.442 flat angles C4'-P-C4' energy: -111.832 flat angles P-C4'-P energy: -81.836 tors. eta vs tors. theta energy: -148.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1626.310844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.310844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.310844 (E_RNA) where: Base-Base interactions energy: -1149.087 where: short stacking energy: -460.162 Base-Backbone interact. energy: -0.834 local terms energy: -476.390368 where: bonds (distance) C4'-P energy: -92.729 bonds (distance) P-C4' energy: -67.347 flat angles C4'-P-C4' energy: -106.916 flat angles P-C4'-P energy: -68.396 tors. eta vs tors. theta energy: -141.002 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: 6, replica: 4 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1504.699563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.699563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.699563 (E_RNA) where: Base-Base interactions energy: -1046.023 where: short stacking energy: -414.106 Base-Backbone interact. energy: 0.435 local terms energy: -459.110990 where: bonds (distance) C4'-P energy: -75.858 bonds (distance) P-C4' energy: -92.124 flat angles C4'-P-C4' energy: -107.920 flat angles P-C4'-P energy: -66.360 tors. eta vs tors. theta energy: -116.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1301.793440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.793440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.793440 (E_RNA) where: Base-Base interactions energy: -883.202 where: short stacking energy: -362.682 Base-Backbone interact. energy: -0.436 local terms energy: -418.155599 where: bonds (distance) C4'-P energy: -74.759 bonds (distance) P-C4' energy: -85.814 flat angles C4'-P-C4' energy: -95.553 flat angles P-C4'-P energy: -65.005 tors. eta vs tors. theta energy: -97.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1225.191561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.191561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.191561 (E_RNA) where: Base-Base interactions energy: -827.348 where: short stacking energy: -347.361 Base-Backbone interact. energy: 2.660 local terms energy: -400.503479 where: bonds (distance) C4'-P energy: -91.253 bonds (distance) P-C4' energy: -73.967 flat angles C4'-P-C4' energy: -80.961 flat angles P-C4'-P energy: -59.475 tors. eta vs tors. theta energy: -94.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -1119.082353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.082353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.082353 (E_RNA) where: Base-Base interactions energy: -757.491 where: short stacking energy: -332.664 Base-Backbone interact. energy: 0.599 local terms energy: -362.189631 where: bonds (distance) C4'-P energy: -71.032 bonds (distance) P-C4' energy: -73.012 flat angles C4'-P-C4' energy: -79.643 flat angles P-C4'-P energy: -59.880 tors. eta vs tors. theta energy: -78.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -1047.421260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.421260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.421260 (E_RNA) where: Base-Base interactions energy: -711.918 where: short stacking energy: -305.029 Base-Backbone interact. energy: 2.130 local terms energy: -337.632993 where: bonds (distance) C4'-P energy: -71.622 bonds (distance) P-C4' energy: -56.924 flat angles C4'-P-C4' energy: -81.907 flat angles P-C4'-P energy: -53.856 tors. eta vs tors. theta energy: -73.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1912.261608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.261608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.261608 (E_RNA) where: Base-Base interactions energy: -1353.807 where: short stacking energy: -542.607 Base-Backbone interact. energy: -1.210 local terms energy: -557.244857 where: bonds (distance) C4'-P energy: -92.198 bonds (distance) P-C4' energy: -85.847 flat angles C4'-P-C4' energy: -116.127 flat angles P-C4'-P energy: -85.031 tors. eta vs tors. theta energy: -178.042 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: 8 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1829.621264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.621264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.621264 (E_RNA) where: Base-Base interactions energy: -1286.138 where: short stacking energy: -506.401 Base-Backbone interact. energy: -2.678 local terms energy: -540.805542 where: bonds (distance) C4'-P energy: -92.378 bonds (distance) P-C4' energy: -92.396 flat angles C4'-P-C4' energy: -115.286 flat angles P-C4'-P energy: -81.712 tors. eta vs tors. theta energy: -159.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1755.055773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.055773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.055773 (E_RNA) where: Base-Base interactions energy: -1236.522 where: short stacking energy: -491.963 Base-Backbone interact. energy: 0.944 local terms energy: -519.477803 where: bonds (distance) C4'-P energy: -88.094 bonds (distance) P-C4' energy: -94.400 flat angles C4'-P-C4' energy: -111.187 flat angles P-C4'-P energy: -77.977 tors. eta vs tors. theta energy: -147.819 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: 6 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1638.155931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.155931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.155931 (E_RNA) where: Base-Base interactions energy: -1142.128 where: short stacking energy: -477.762 Base-Backbone interact. energy: 0.035 local terms energy: -496.062151 where: bonds (distance) C4'-P energy: -83.426 bonds (distance) P-C4' energy: -91.668 flat angles C4'-P-C4' energy: -101.588 flat angles P-C4'-P energy: -76.229 tors. eta vs tors. theta energy: -143.151 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: 403 Temperature: 1.100000 Total energy: -1632.364220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.364220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.364220 (E_RNA) where: Base-Base interactions energy: -1131.223 where: short stacking energy: -463.492 Base-Backbone interact. energy: -2.555 local terms energy: -498.586758 where: bonds (distance) C4'-P energy: -90.603 bonds (distance) P-C4' energy: -84.019 flat angles C4'-P-C4' energy: -102.964 flat angles P-C4'-P energy: -77.241 tors. eta vs tors. theta energy: -143.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1503.293706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.293706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.293706 (E_RNA) where: Base-Base interactions energy: -1044.798 where: short stacking energy: -435.669 Base-Backbone interact. energy: -1.980 local terms energy: -456.514880 where: bonds (distance) C4'-P energy: -91.908 bonds (distance) P-C4' energy: -73.103 flat angles C4'-P-C4' energy: -96.123 flat angles P-C4'-P energy: -66.222 tors. eta vs tors. theta energy: -129.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1307.018962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.018962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.018962 (E_RNA) where: Base-Base interactions energy: -873.976 where: short stacking energy: -368.470 Base-Backbone interact. energy: -0.669 local terms energy: -432.374168 where: bonds (distance) C4'-P energy: -83.927 bonds (distance) P-C4' energy: -103.318 flat angles C4'-P-C4' energy: -79.042 flat angles P-C4'-P energy: -56.494 tors. eta vs tors. theta energy: -109.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1240.943090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.943090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.943090 (E_RNA) where: Base-Base interactions energy: -839.883 where: short stacking energy: -341.453 Base-Backbone interact. energy: 0.609 local terms energy: -401.669545 where: bonds (distance) C4'-P energy: -61.049 bonds (distance) P-C4' energy: -75.122 flat angles C4'-P-C4' energy: -102.082 flat angles P-C4'-P energy: -61.866 tors. eta vs tors. theta energy: -101.550 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: 9, replica: 10 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -1107.079341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.079341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.079341 (E_RNA) where: Base-Base interactions energy: -734.809 where: short stacking energy: -303.594 Base-Backbone interact. energy: -1.254 local terms energy: -371.016444 where: bonds (distance) C4'-P energy: -64.998 bonds (distance) P-C4' energy: -83.527 flat angles C4'-P-C4' energy: -97.691 flat angles P-C4'-P energy: -50.030 tors. eta vs tors. theta energy: -74.771 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: 10, replica: 9 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -988.856412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.856412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.856412 (E_RNA) where: Base-Base interactions energy: -657.930 where: short stacking energy: -298.037 Base-Backbone interact. energy: 3.798 local terms energy: -334.724826 where: bonds (distance) C4'-P energy: -83.605 bonds (distance) P-C4' energy: -81.486 flat angles C4'-P-C4' energy: -72.754 flat angles P-C4'-P energy: -39.550 tors. eta vs tors. theta energy: -57.329 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: 2 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1912.371898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.371898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.371898 (E_RNA) where: Base-Base interactions energy: -1369.409 where: short stacking energy: -539.598 Base-Backbone interact. energy: -0.602 local terms energy: -542.361355 where: bonds (distance) C4'-P energy: -83.028 bonds (distance) P-C4' energy: -94.880 flat angles C4'-P-C4' energy: -111.134 flat angles P-C4'-P energy: -85.288 tors. eta vs tors. theta energy: -168.031 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: 8 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1816.092793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.092793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.092793 (E_RNA) where: Base-Base interactions energy: -1284.077 where: short stacking energy: -516.836 Base-Backbone interact. energy: -0.993 local terms energy: -531.022502 where: bonds (distance) C4'-P energy: -95.496 bonds (distance) P-C4' energy: -100.170 flat angles C4'-P-C4' energy: -108.098 flat angles P-C4'-P energy: -69.665 tors. eta vs tors. theta energy: -157.594 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: 6 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1669.327670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.327670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.327670 (E_RNA) where: Base-Base interactions energy: -1168.227 where: short stacking energy: -473.647 Base-Backbone interact. energy: -1.687 local terms energy: -499.413060 where: bonds (distance) C4'-P energy: -95.666 bonds (distance) P-C4' energy: -90.095 flat angles C4'-P-C4' energy: -98.921 flat angles P-C4'-P energy: -67.294 tors. eta vs tors. theta energy: -147.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1728.602614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.602614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.602614 (E_RNA) where: Base-Base interactions energy: -1204.253 where: short stacking energy: -475.777 Base-Backbone interact. energy: -1.835 local terms energy: -522.514678 where: bonds (distance) C4'-P energy: -103.400 bonds (distance) P-C4' energy: -90.439 flat angles C4'-P-C4' energy: -106.850 flat angles P-C4'-P energy: -69.202 tors. eta vs tors. theta energy: -152.624 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: 7 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1602.733289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.733289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.733289 (E_RNA) where: Base-Base interactions energy: -1103.135 where: short stacking energy: -448.015 Base-Backbone interact. energy: -1.012 local terms energy: -498.586108 where: bonds (distance) C4'-P energy: -83.050 bonds (distance) P-C4' energy: -94.199 flat angles C4'-P-C4' energy: -108.252 flat angles P-C4'-P energy: -74.544 tors. eta vs tors. theta energy: -138.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1485.682416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.682416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.682416 (E_RNA) where: Base-Base interactions energy: -1031.062 where: short stacking energy: -412.583 Base-Backbone interact. energy: 0.994 local terms energy: -455.614332 where: bonds (distance) C4'-P energy: -88.512 bonds (distance) P-C4' energy: -88.071 flat angles C4'-P-C4' energy: -85.333 flat angles P-C4'-P energy: -59.328 tors. eta vs tors. theta energy: -134.370 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: 5 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1313.827045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.827045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.827045 (E_RNA) where: Base-Base interactions energy: -895.674 where: short stacking energy: -376.035 Base-Backbone interact. energy: -0.496 local terms energy: -417.657083 where: bonds (distance) C4'-P energy: -70.446 bonds (distance) P-C4' energy: -83.977 flat angles C4'-P-C4' energy: -97.965 flat angles P-C4'-P energy: -61.896 tors. eta vs tors. theta energy: -103.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1271.380074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.380074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.380074 (E_RNA) where: Base-Base interactions energy: -849.339 where: short stacking energy: -348.615 Base-Backbone interact. energy: -1.456 local terms energy: -420.584790 where: bonds (distance) C4'-P energy: -91.514 bonds (distance) P-C4' energy: -91.185 flat angles C4'-P-C4' energy: -86.113 flat angles P-C4'-P energy: -54.964 tors. eta vs tors. theta energy: -96.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -1140.931326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.931326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.931326 (E_RNA) where: Base-Base interactions energy: -758.270 where: short stacking energy: -323.241 Base-Backbone interact. energy: -0.319 local terms energy: -382.342885 where: bonds (distance) C4'-P energy: -84.657 bonds (distance) P-C4' energy: -77.755 flat angles C4'-P-C4' energy: -74.609 flat angles P-C4'-P energy: -67.451 tors. eta vs tors. theta energy: -77.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -950.312424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.312424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.312424 (E_RNA) where: Base-Base interactions energy: -600.510 where: short stacking energy: -261.722 Base-Backbone interact. energy: -1.554 local terms energy: -348.248393 where: bonds (distance) C4'-P energy: -67.896 bonds (distance) P-C4' energy: -77.944 flat angles C4'-P-C4' energy: -84.342 flat angles P-C4'-P energy: -52.584 tors. eta vs tors. theta energy: -65.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1900.602748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.602748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.602748 (E_RNA) where: Base-Base interactions energy: -1345.115 where: short stacking energy: -535.252 Base-Backbone interact. energy: -0.069 local terms energy: -555.418145 where: bonds (distance) C4'-P energy: -98.685 bonds (distance) P-C4' energy: -98.694 flat angles C4'-P-C4' energy: -115.503 flat angles P-C4'-P energy: -75.554 tors. eta vs tors. theta energy: -166.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1822.715487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.715487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.715487 (E_RNA) where: Base-Base interactions energy: -1291.068 where: short stacking energy: -518.528 Base-Backbone interact. energy: -1.245 local terms energy: -530.402638 where: bonds (distance) C4'-P energy: -91.481 bonds (distance) P-C4' energy: -99.021 flat angles C4'-P-C4' energy: -107.793 flat angles P-C4'-P energy: -72.277 tors. eta vs tors. theta energy: -159.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1646.860653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.860653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.860653 (E_RNA) where: Base-Base interactions energy: -1142.982 where: short stacking energy: -466.701 Base-Backbone interact. energy: -1.133 local terms energy: -502.745572 where: bonds (distance) C4'-P energy: -81.428 bonds (distance) P-C4' energy: -94.311 flat angles C4'-P-C4' energy: -110.720 flat angles P-C4'-P energy: -76.537 tors. eta vs tors. theta energy: -139.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1740.182055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.182055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.182055 (E_RNA) where: Base-Base interactions energy: -1228.779 where: short stacking energy: -488.363 Base-Backbone interact. energy: -0.403 local terms energy: -510.999767 where: bonds (distance) C4'-P energy: -90.452 bonds (distance) P-C4' energy: -90.227 flat angles C4'-P-C4' energy: -108.369 flat angles P-C4'-P energy: -67.857 tors. eta vs tors. theta energy: -154.094 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: 7 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1616.977308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.977308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.977308 (E_RNA) where: Base-Base interactions energy: -1130.535 where: short stacking energy: -460.177 Base-Backbone interact. energy: -0.730 local terms energy: -485.711830 where: bonds (distance) C4'-P energy: -90.652 bonds (distance) P-C4' energy: -88.989 flat angles C4'-P-C4' energy: -102.424 flat angles P-C4'-P energy: -55.823 tors. eta vs tors. theta energy: -147.824 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: 4 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1497.477302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.477302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.477302 (E_RNA) where: Base-Base interactions energy: -1019.588 where: short stacking energy: -412.140 Base-Backbone interact. energy: -0.357 local terms energy: -477.532510 where: bonds (distance) C4'-P energy: -85.906 bonds (distance) P-C4' energy: -91.892 flat angles C4'-P-C4' energy: -92.864 flat angles P-C4'-P energy: -69.860 tors. eta vs tors. theta energy: -137.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1321.860369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.860369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.860369 (E_RNA) where: Base-Base interactions energy: -906.390 where: short stacking energy: -373.280 Base-Backbone interact. energy: -0.860 local terms energy: -414.609702 where: bonds (distance) C4'-P energy: -86.181 bonds (distance) P-C4' energy: -86.741 flat angles C4'-P-C4' energy: -85.870 flat angles P-C4'-P energy: -54.831 tors. eta vs tors. theta energy: -100.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1257.941281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.941281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.941281 (E_RNA) where: Base-Base interactions energy: -839.529 where: short stacking energy: -342.907 Base-Backbone interact. energy: -0.155 local terms energy: -418.257790 where: bonds (distance) C4'-P energy: -73.150 bonds (distance) P-C4' energy: -89.130 flat angles C4'-P-C4' energy: -93.585 flat angles P-C4'-P energy: -69.249 tors. eta vs tors. theta energy: -93.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1157.726821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.726821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.726821 (E_RNA) where: Base-Base interactions energy: -757.199 where: short stacking energy: -334.119 Base-Backbone interact. energy: 0.781 local terms energy: -401.309427 where: bonds (distance) C4'-P energy: -77.892 bonds (distance) P-C4' energy: -79.143 flat angles C4'-P-C4' energy: -94.576 flat angles P-C4'-P energy: -58.472 tors. eta vs tors. theta energy: -91.227 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: 9 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -1017.213519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.213519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.213519 (E_RNA) where: Base-Base interactions energy: -670.759 where: short stacking energy: -280.056 Base-Backbone interact. energy: -2.119 local terms energy: -344.335909 where: bonds (distance) C4'-P energy: -78.722 bonds (distance) P-C4' energy: -73.182 flat angles C4'-P-C4' energy: -82.663 flat angles P-C4'-P energy: -50.139 tors. eta vs tors. theta energy: -59.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1916.152225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.152225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.152225 (E_RNA) where: Base-Base interactions energy: -1370.003 where: short stacking energy: -546.889 Base-Backbone interact. energy: -0.400 local terms energy: -545.749297 where: bonds (distance) C4'-P energy: -86.907 bonds (distance) P-C4' energy: -94.200 flat angles C4'-P-C4' energy: -116.295 flat angles P-C4'-P energy: -83.210 tors. eta vs tors. theta energy: -165.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1822.983336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.983336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.983336 (E_RNA) where: Base-Base interactions energy: -1273.801 where: short stacking energy: -519.418 Base-Backbone interact. energy: -0.568 local terms energy: -548.614887 where: bonds (distance) C4'-P energy: -86.719 bonds (distance) P-C4' energy: -103.096 flat angles C4'-P-C4' energy: -109.213 flat angles P-C4'-P energy: -88.263 tors. eta vs tors. theta energy: -161.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1784.032697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.032697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.032697 (E_RNA) where: Base-Base interactions energy: -1249.556 where: short stacking energy: -497.505 Base-Backbone interact. energy: -1.031 local terms energy: -533.444986 where: bonds (distance) C4'-P energy: -101.319 bonds (distance) P-C4' energy: -85.776 flat angles C4'-P-C4' energy: -120.003 flat angles P-C4'-P energy: -76.045 tors. eta vs tors. theta energy: -150.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1638.478716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.478716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.478716 (E_RNA) where: Base-Base interactions energy: -1134.578 where: short stacking energy: -473.723 Base-Backbone interact. energy: -0.193 local terms energy: -503.707071 where: bonds (distance) C4'-P energy: -83.716 bonds (distance) P-C4' energy: -91.387 flat angles C4'-P-C4' energy: -105.386 flat angles P-C4'-P energy: -79.787 tors. eta vs tors. theta energy: -143.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1614.693611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.693611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.693611 (E_RNA) where: Base-Base interactions energy: -1118.338 where: short stacking energy: -459.107 Base-Backbone interact. energy: -1.713 local terms energy: -494.642026 where: bonds (distance) C4'-P energy: -91.138 bonds (distance) P-C4' energy: -91.459 flat angles C4'-P-C4' energy: -102.631 flat angles P-C4'-P energy: -62.926 tors. eta vs tors. theta energy: -146.489 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: 406 Temperature: 1.150000 Total energy: -1508.195958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.195958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.195958 (E_RNA) where: Base-Base interactions energy: -1040.261 where: short stacking energy: -414.470 Base-Backbone interact. energy: -0.789 local terms energy: -467.146163 where: bonds (distance) C4'-P energy: -84.864 bonds (distance) P-C4' energy: -84.741 flat angles C4'-P-C4' energy: -102.576 flat angles P-C4'-P energy: -67.800 tors. eta vs tors. theta energy: -127.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1318.584408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.584408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.584408 (E_RNA) where: Base-Base interactions energy: -915.633 where: short stacking energy: -384.073 Base-Backbone interact. energy: -0.749 local terms energy: -402.202235 where: bonds (distance) C4'-P energy: -66.369 bonds (distance) P-C4' energy: -86.648 flat angles C4'-P-C4' energy: -89.534 flat angles P-C4'-P energy: -57.149 tors. eta vs tors. theta energy: -102.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1288.358438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.358438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.358438 (E_RNA) where: Base-Base interactions energy: -872.423 where: short stacking energy: -350.620 Base-Backbone interact. energy: -2.358 local terms energy: -413.577976 where: bonds (distance) C4'-P energy: -79.036 bonds (distance) P-C4' energy: -79.177 flat angles C4'-P-C4' energy: -93.997 flat angles P-C4'-P energy: -61.739 tors. eta vs tors. theta energy: -99.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -1210.086255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.086255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.086255 (E_RNA) where: Base-Base interactions energy: -803.217 where: short stacking energy: -330.791 Base-Backbone interact. energy: 3.002 local terms energy: -409.870772 where: bonds (distance) C4'-P energy: -81.411 bonds (distance) P-C4' energy: -84.745 flat angles C4'-P-C4' energy: -88.855 flat angles P-C4'-P energy: -61.465 tors. eta vs tors. theta energy: -93.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -1038.878769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.878769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.878769 (E_RNA) where: Base-Base interactions energy: -691.192 where: short stacking energy: -299.066 Base-Backbone interact. energy: -2.435 local terms energy: -345.251716 where: bonds (distance) C4'-P energy: -67.301 bonds (distance) P-C4' energy: -81.448 flat angles C4'-P-C4' energy: -76.072 flat angles P-C4'-P energy: -46.676 tors. eta vs tors. theta energy: -73.754 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: 407 Temperature: 0.900000 Total energy: -1914.474010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.474010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.474010 (E_RNA) where: Base-Base interactions energy: -1360.850 where: short stacking energy: -554.589 Base-Backbone interact. energy: -1.180 local terms energy: -552.443893 where: bonds (distance) C4'-P energy: -92.417 bonds (distance) P-C4' energy: -104.040 flat angles C4'-P-C4' energy: -112.231 flat angles P-C4'-P energy: -80.226 tors. eta vs tors. theta energy: -163.530 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: 3 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1797.236619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.236619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.236619 (E_RNA) where: Base-Base interactions energy: -1278.146 where: short stacking energy: -504.379 Base-Backbone interact. energy: -3.005 local terms energy: -516.084909 where: bonds (distance) C4'-P energy: -87.348 bonds (distance) P-C4' energy: -86.787 flat angles C4'-P-C4' energy: -109.342 flat angles P-C4'-P energy: -76.642 tors. eta vs tors. theta energy: -155.966 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: 8 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1769.871942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.871942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.871942 (E_RNA) where: Base-Base interactions energy: -1251.211 where: short stacking energy: -511.779 Base-Backbone interact. energy: 2.101 local terms energy: -520.762027 where: bonds (distance) C4'-P energy: -95.943 bonds (distance) P-C4' energy: -94.486 flat angles C4'-P-C4' energy: -106.201 flat angles P-C4'-P energy: -65.028 tors. eta vs tors. theta energy: -159.103 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: 6 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1629.879444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.879444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.879444 (E_RNA) where: Base-Base interactions energy: -1127.091 where: short stacking energy: -467.282 Base-Backbone interact. energy: -0.250 local terms energy: -502.538921 where: bonds (distance) C4'-P energy: -83.262 bonds (distance) P-C4' energy: -90.725 flat angles C4'-P-C4' energy: -105.765 flat angles P-C4'-P energy: -80.140 tors. eta vs tors. theta energy: -142.647 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: 407 Temperature: 1.100000 Total energy: -1626.831821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.831821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.831821 (E_RNA) where: Base-Base interactions energy: -1138.380 where: short stacking energy: -470.325 Base-Backbone interact. energy: -0.064 local terms energy: -488.387745 where: bonds (distance) C4'-P energy: -85.474 bonds (distance) P-C4' energy: -87.945 flat angles C4'-P-C4' energy: -104.913 flat angles P-C4'-P energy: -73.347 tors. eta vs tors. theta energy: -136.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1505.224944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.224944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.224944 (E_RNA) where: Base-Base interactions energy: -1032.707 where: short stacking energy: -432.682 Base-Backbone interact. energy: -0.770 local terms energy: -471.747827 where: bonds (distance) C4'-P energy: -89.807 bonds (distance) P-C4' energy: -92.606 flat angles C4'-P-C4' energy: -101.227 flat angles P-C4'-P energy: -55.697 tors. eta vs tors. theta energy: -132.410 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: 5 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1328.753330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.753330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.753330 (E_RNA) where: Base-Base interactions energy: -896.436 where: short stacking energy: -377.921 Base-Backbone interact. energy: -1.072 local terms energy: -431.245858 where: bonds (distance) C4'-P energy: -86.849 bonds (distance) P-C4' energy: -77.247 flat angles C4'-P-C4' energy: -87.401 flat angles P-C4'-P energy: -63.784 tors. eta vs tors. theta energy: -115.966 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: 10 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1257.795883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.795883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.795883 (E_RNA) where: Base-Base interactions energy: -856.273 where: short stacking energy: -349.516 Base-Backbone interact. energy: 0.129 local terms energy: -401.651313 where: bonds (distance) C4'-P energy: -71.879 bonds (distance) P-C4' energy: -88.087 flat angles C4'-P-C4' energy: -94.768 flat angles P-C4'-P energy: -45.733 tors. eta vs tors. theta energy: -101.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -1233.705721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.705721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.705721 (E_RNA) where: Base-Base interactions energy: -835.883 where: short stacking energy: -340.818 Base-Backbone interact. energy: -0.634 local terms energy: -397.188428 where: bonds (distance) C4'-P energy: -74.663 bonds (distance) P-C4' energy: -98.064 flat angles C4'-P-C4' energy: -89.512 flat angles P-C4'-P energy: -49.447 tors. eta vs tors. theta energy: -85.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -1001.883635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.883635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.883635 (E_RNA) where: Base-Base interactions energy: -660.822 where: short stacking energy: -273.559 Base-Backbone interact. energy: -1.561 local terms energy: -339.501040 where: bonds (distance) C4'-P energy: -74.957 bonds (distance) P-C4' energy: -71.336 flat angles C4'-P-C4' energy: -91.809 flat angles P-C4'-P energy: -52.991 tors. eta vs tors. theta energy: -48.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1896.120852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.120852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.120852 (E_RNA) where: Base-Base interactions energy: -1352.195 where: short stacking energy: -537.967 Base-Backbone interact. energy: 0.410 local terms energy: -544.335604 where: bonds (distance) C4'-P energy: -89.778 bonds (distance) P-C4' energy: -93.677 flat angles C4'-P-C4' energy: -106.531 flat angles P-C4'-P energy: -82.160 tors. eta vs tors. theta energy: -172.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1783.936629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.936629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.936629 (E_RNA) where: Base-Base interactions energy: -1257.584 where: short stacking energy: -507.260 Base-Backbone interact. energy: -0.626 local terms energy: -525.726855 where: bonds (distance) C4'-P energy: -93.947 bonds (distance) P-C4' energy: -103.629 flat angles C4'-P-C4' energy: -104.594 flat angles P-C4'-P energy: -73.057 tors. eta vs tors. theta energy: -150.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1773.893588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.893588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.893588 (E_RNA) where: Base-Base interactions energy: -1234.134 where: short stacking energy: -492.948 Base-Backbone interact. energy: 0.016 local terms energy: -539.775802 where: bonds (distance) C4'-P energy: -98.651 bonds (distance) P-C4' energy: -89.387 flat angles C4'-P-C4' energy: -112.739 flat angles P-C4'-P energy: -81.222 tors. eta vs tors. theta energy: -157.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1636.865011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.865011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.865011 (E_RNA) where: Base-Base interactions energy: -1145.511 where: short stacking energy: -465.395 Base-Backbone interact. energy: 0.273 local terms energy: -491.626915 where: bonds (distance) C4'-P energy: -91.538 bonds (distance) P-C4' energy: -81.530 flat angles C4'-P-C4' energy: -106.876 flat angles P-C4'-P energy: -74.423 tors. eta vs tors. theta energy: -137.260 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: 7 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1626.995001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.995001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.995001 (E_RNA) where: Base-Base interactions energy: -1145.061 where: short stacking energy: -449.165 Base-Backbone interact. energy: -1.688 local terms energy: -480.245776 where: bonds (distance) C4'-P energy: -88.874 bonds (distance) P-C4' energy: -91.464 flat angles C4'-P-C4' energy: -99.838 flat angles P-C4'-P energy: -60.167 tors. eta vs tors. theta energy: -139.903 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: 4 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1472.053969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.053969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.053969 (E_RNA) where: Base-Base interactions energy: -1002.283 where: short stacking energy: -398.564 Base-Backbone interact. energy: -1.551 local terms energy: -468.220486 where: bonds (distance) C4'-P energy: -82.118 bonds (distance) P-C4' energy: -95.001 flat angles C4'-P-C4' energy: -91.927 flat angles P-C4'-P energy: -72.375 tors. eta vs tors. theta energy: -126.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1340.483157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.483157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.483157 (E_RNA) where: Base-Base interactions energy: -901.766 where: short stacking energy: -382.511 Base-Backbone interact. energy: -0.213 local terms energy: -438.504065 where: bonds (distance) C4'-P energy: -88.185 bonds (distance) P-C4' energy: -79.504 flat angles C4'-P-C4' energy: -97.927 flat angles P-C4'-P energy: -71.149 tors. eta vs tors. theta energy: -101.739 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: 10 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1279.417874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.417874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.417874 (E_RNA) where: Base-Base interactions energy: -859.246 where: short stacking energy: -361.540 Base-Backbone interact. energy: 0.918 local terms energy: -421.089197 where: bonds (distance) C4'-P energy: -82.437 bonds (distance) P-C4' energy: -85.683 flat angles C4'-P-C4' energy: -90.002 flat angles P-C4'-P energy: -63.232 tors. eta vs tors. theta energy: -99.736 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: 1 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -1238.049505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.049505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.049505 (E_RNA) where: Base-Base interactions energy: -840.907 where: short stacking energy: -346.798 Base-Backbone interact. energy: -0.402 local terms energy: -396.741147 where: bonds (distance) C4'-P energy: -76.929 bonds (distance) P-C4' energy: -80.582 flat angles C4'-P-C4' energy: -86.124 flat angles P-C4'-P energy: -53.354 tors. eta vs tors. theta energy: -99.752 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: 10, replica: 9 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -971.689229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.689229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.689229 (E_RNA) where: Base-Base interactions energy: -623.749 where: short stacking energy: -253.596 Base-Backbone interact. energy: -1.023 local terms energy: -346.917636 where: bonds (distance) C4'-P energy: -80.341 bonds (distance) P-C4' energy: -79.381 flat angles C4'-P-C4' energy: -79.173 flat angles P-C4'-P energy: -47.089 tors. eta vs tors. theta energy: -60.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1901.206280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.206280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.206280 (E_RNA) where: Base-Base interactions energy: -1359.009 where: short stacking energy: -555.515 Base-Backbone interact. energy: -0.923 local terms energy: -541.274680 where: bonds (distance) C4'-P energy: -93.424 bonds (distance) P-C4' energy: -100.099 flat angles C4'-P-C4' energy: -96.478 flat angles P-C4'-P energy: -79.121 tors. eta vs tors. theta energy: -172.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1786.946501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.946501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.946501 (E_RNA) where: Base-Base interactions energy: -1270.747 where: short stacking energy: -498.939 Base-Backbone interact. energy: -1.583 local terms energy: -514.616556 where: bonds (distance) C4'-P energy: -90.003 bonds (distance) P-C4' energy: -86.910 flat angles C4'-P-C4' energy: -115.054 flat angles P-C4'-P energy: -77.886 tors. eta vs tors. theta energy: -144.763 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: 8 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1788.985499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.985499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.985499 (E_RNA) where: Base-Base interactions energy: -1264.335 where: short stacking energy: -518.262 Base-Backbone interact. energy: 0.511 local terms energy: -525.162302 where: bonds (distance) C4'-P energy: -79.934 bonds (distance) P-C4' energy: -96.269 flat angles C4'-P-C4' energy: -115.886 flat angles P-C4'-P energy: -75.726 tors. eta vs tors. theta energy: -157.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1624.986623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.986623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.986623 (E_RNA) where: Base-Base interactions energy: -1124.548 where: short stacking energy: -457.900 Base-Backbone interact. energy: -1.989 local terms energy: -498.449777 where: bonds (distance) C4'-P energy: -96.489 bonds (distance) P-C4' energy: -95.131 flat angles C4'-P-C4' energy: -109.073 flat angles P-C4'-P energy: -62.410 tors. eta vs tors. theta energy: -135.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1617.489284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.489284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.489284 (E_RNA) where: Base-Base interactions energy: -1130.497 where: short stacking energy: -462.755 Base-Backbone interact. energy: -0.333 local terms energy: -486.659276 where: bonds (distance) C4'-P energy: -81.669 bonds (distance) P-C4' energy: -83.289 flat angles C4'-P-C4' energy: -108.127 flat angles P-C4'-P energy: -71.673 tors. eta vs tors. theta energy: -141.901 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: 4 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1480.882413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.882413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.882413 (E_RNA) where: Base-Base interactions energy: -1022.194 where: short stacking energy: -432.794 Base-Backbone interact. energy: -1.367 local terms energy: -457.321276 where: bonds (distance) C4'-P energy: -90.118 bonds (distance) P-C4' energy: -75.201 flat angles C4'-P-C4' energy: -96.470 flat angles P-C4'-P energy: -70.473 tors. eta vs tors. theta energy: -125.059 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: 5 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1343.568823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.568823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.568823 (E_RNA) where: Base-Base interactions energy: -914.058 where: short stacking energy: -389.887 Base-Backbone interact. energy: -1.474 local terms energy: -428.036920 where: bonds (distance) C4'-P energy: -81.351 bonds (distance) P-C4' energy: -86.502 flat angles C4'-P-C4' energy: -88.610 flat angles P-C4'-P energy: -69.735 tors. eta vs tors. theta energy: -101.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1288.716446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.716446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.716446 (E_RNA) where: Base-Base interactions energy: -875.871 where: short stacking energy: -369.903 Base-Backbone interact. energy: 0.922 local terms energy: -413.767087 where: bonds (distance) C4'-P energy: -73.693 bonds (distance) P-C4' energy: -93.487 flat angles C4'-P-C4' energy: -90.489 flat angles P-C4'-P energy: -51.779 tors. eta vs tors. theta energy: -104.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -1223.991128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.991128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.991128 (E_RNA) where: Base-Base interactions energy: -834.089 where: short stacking energy: -345.649 Base-Backbone interact. energy: 1.263 local terms energy: -391.165306 where: bonds (distance) C4'-P energy: -74.176 bonds (distance) P-C4' energy: -84.695 flat angles C4'-P-C4' energy: -75.800 flat angles P-C4'-P energy: -52.792 tors. eta vs tors. theta energy: -103.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -939.120199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.120199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.120199 (E_RNA) where: Base-Base interactions energy: -597.714 where: short stacking energy: -252.091 Base-Backbone interact. energy: -1.033 local terms energy: -340.372605 where: bonds (distance) C4'-P energy: -71.426 bonds (distance) P-C4' energy: -85.833 flat angles C4'-P-C4' energy: -81.451 flat angles P-C4'-P energy: -50.902 tors. eta vs tors. theta energy: -50.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1896.256080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.256080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.256080 (E_RNA) where: Base-Base interactions energy: -1321.648 where: short stacking energy: -538.515 Base-Backbone interact. energy: 0.636 local terms energy: -575.244097 where: bonds (distance) C4'-P energy: -102.017 bonds (distance) P-C4' energy: -106.775 flat angles C4'-P-C4' energy: -124.777 flat angles P-C4'-P energy: -79.130 tors. eta vs tors. theta energy: -162.545 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: 410 Temperature: 0.950000 Total energy: -1773.652582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.652582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.652582 (E_RNA) where: Base-Base interactions energy: -1255.784 where: short stacking energy: -499.358 Base-Backbone interact. energy: -0.569 local terms energy: -517.299719 where: bonds (distance) C4'-P energy: -80.821 bonds (distance) P-C4' energy: -92.214 flat angles C4'-P-C4' energy: -114.672 flat angles P-C4'-P energy: -82.701 tors. eta vs tors. theta energy: -146.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1786.784479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.784479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.784479 (E_RNA) where: Base-Base interactions energy: -1257.430 where: short stacking energy: -514.800 Base-Backbone interact. energy: 2.147 local terms energy: -531.501755 where: bonds (distance) C4'-P energy: -91.891 bonds (distance) P-C4' energy: -83.992 flat angles C4'-P-C4' energy: -107.379 flat angles P-C4'-P energy: -79.414 tors. eta vs tors. theta energy: -168.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1634.992942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.992942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.992942 (E_RNA) where: Base-Base interactions energy: -1138.807 where: short stacking energy: -459.041 Base-Backbone interact. energy: -2.423 local terms energy: -493.762849 where: bonds (distance) C4'-P energy: -92.529 bonds (distance) P-C4' energy: -92.483 flat angles C4'-P-C4' energy: -100.133 flat angles P-C4'-P energy: -71.839 tors. eta vs tors. theta energy: -136.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1635.751358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.751358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.751358 (E_RNA) where: Base-Base interactions energy: -1110.136 where: short stacking energy: -463.574 Base-Backbone interact. energy: -2.267 local terms energy: -523.347936 where: bonds (distance) C4'-P energy: -91.958 bonds (distance) P-C4' energy: -93.895 flat angles C4'-P-C4' energy: -108.299 flat angles P-C4'-P energy: -77.512 tors. eta vs tors. theta energy: -151.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1482.357143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.357143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.357143 (E_RNA) where: Base-Base interactions energy: -1005.778 where: short stacking energy: -415.315 Base-Backbone interact. energy: -1.794 local terms energy: -474.784724 where: bonds (distance) C4'-P energy: -84.625 bonds (distance) P-C4' energy: -87.379 flat angles C4'-P-C4' energy: -104.587 flat angles P-C4'-P energy: -75.271 tors. eta vs tors. theta energy: -122.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1342.933647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.933647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.933647 (E_RNA) where: Base-Base interactions energy: -915.617 where: short stacking energy: -389.174 Base-Backbone interact. energy: 3.972 local terms energy: -431.288478 where: bonds (distance) C4'-P energy: -79.121 bonds (distance) P-C4' energy: -83.411 flat angles C4'-P-C4' energy: -94.757 flat angles P-C4'-P energy: -63.391 tors. eta vs tors. theta energy: -110.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1293.719352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.719352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.719352 (E_RNA) where: Base-Base interactions energy: -884.247 where: short stacking energy: -363.001 Base-Backbone interact. energy: -0.623 local terms energy: -408.849764 where: bonds (distance) C4'-P energy: -76.328 bonds (distance) P-C4' energy: -75.574 flat angles C4'-P-C4' energy: -88.381 flat angles P-C4'-P energy: -66.315 tors. eta vs tors. theta energy: -102.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -1249.286540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.286540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.286540 (E_RNA) where: Base-Base interactions energy: -820.174 where: short stacking energy: -341.385 Base-Backbone interact. energy: 0.439 local terms energy: -429.550917 where: bonds (distance) C4'-P energy: -83.338 bonds (distance) P-C4' energy: -90.988 flat angles C4'-P-C4' energy: -91.186 flat angles P-C4'-P energy: -70.578 tors. eta vs tors. theta energy: -93.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -895.920404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.920404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.920404 (E_RNA) where: Base-Base interactions energy: -559.141 where: short stacking energy: -240.067 Base-Backbone interact. energy: 3.114 local terms energy: -339.892891 where: bonds (distance) C4'-P energy: -72.661 bonds (distance) P-C4' energy: -87.795 flat angles C4'-P-C4' energy: -83.161 flat angles P-C4'-P energy: -48.738 tors. eta vs tors. theta energy: -47.537 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: 1, replica: 2 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1878.589611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.589611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.589611 (E_RNA) where: Base-Base interactions energy: -1333.767 where: short stacking energy: -534.648 Base-Backbone interact. energy: 0.645 local terms energy: -545.468065 where: bonds (distance) C4'-P energy: -91.881 bonds (distance) P-C4' energy: -101.182 flat angles C4'-P-C4' energy: -111.974 flat angles P-C4'-P energy: -76.827 tors. eta vs tors. theta energy: -163.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1829.465660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.465660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.465660 (E_RNA) where: Base-Base interactions energy: -1279.752 where: short stacking energy: -533.445 Base-Backbone interact. energy: -1.574 local terms energy: -548.139735 where: bonds (distance) C4'-P energy: -98.442 bonds (distance) P-C4' energy: -88.756 flat angles C4'-P-C4' energy: -119.141 flat angles P-C4'-P energy: -78.451 tors. eta vs tors. theta energy: -163.351 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: 3 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1733.717236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.717236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.717236 (E_RNA) where: Base-Base interactions energy: -1216.115 where: short stacking energy: -471.565 Base-Backbone interact. energy: 0.850 local terms energy: -518.452379 where: bonds (distance) C4'-P energy: -91.582 bonds (distance) P-C4' energy: -98.153 flat angles C4'-P-C4' energy: -100.765 flat angles P-C4'-P energy: -78.048 tors. eta vs tors. theta energy: -149.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1620.252224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.252224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.252224 (E_RNA) where: Base-Base interactions energy: -1123.663 where: short stacking energy: -483.244 Base-Backbone interact. energy: 0.600 local terms energy: -497.188495 where: bonds (distance) C4'-P energy: -95.726 bonds (distance) P-C4' energy: -79.030 flat angles C4'-P-C4' energy: -106.490 flat angles P-C4'-P energy: -70.313 tors. eta vs tors. theta energy: -145.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1604.682850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.682850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.682850 (E_RNA) where: Base-Base interactions energy: -1115.237 where: short stacking energy: -451.235 Base-Backbone interact. energy: -2.101 local terms energy: -487.345199 where: bonds (distance) C4'-P energy: -82.667 bonds (distance) P-C4' energy: -92.867 flat angles C4'-P-C4' energy: -103.713 flat angles P-C4'-P energy: -71.545 tors. eta vs tors. theta energy: -136.553 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: 4 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1470.637422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.637422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.637422 (E_RNA) where: Base-Base interactions energy: -1001.340 where: short stacking energy: -418.431 Base-Backbone interact. energy: 1.624 local terms energy: -470.921876 where: bonds (distance) C4'-P energy: -85.251 bonds (distance) P-C4' energy: -88.011 flat angles C4'-P-C4' energy: -93.741 flat angles P-C4'-P energy: -63.079 tors. eta vs tors. theta energy: -140.841 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: 411 Temperature: 1.200000 Total energy: -1358.805511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.805511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.805511 (E_RNA) where: Base-Base interactions energy: -932.817 where: short stacking energy: -390.557 Base-Backbone interact. energy: 3.526 local terms energy: -429.514984 where: bonds (distance) C4'-P energy: -72.279 bonds (distance) P-C4' energy: -94.103 flat angles C4'-P-C4' energy: -99.126 flat angles P-C4'-P energy: -51.875 tors. eta vs tors. theta energy: -112.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1260.802556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.802556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.802556 (E_RNA) where: Base-Base interactions energy: -856.496 where: short stacking energy: -356.787 Base-Backbone interact. energy: 4.986 local terms energy: -409.293096 where: bonds (distance) C4'-P energy: -88.127 bonds (distance) P-C4' energy: -77.440 flat angles C4'-P-C4' energy: -80.986 flat angles P-C4'-P energy: -64.427 tors. eta vs tors. theta energy: -98.313 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: 10 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1197.655947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.655947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.655947 (E_RNA) where: Base-Base interactions energy: -798.797 where: short stacking energy: -338.017 Base-Backbone interact. energy: -0.157 local terms energy: -398.702145 where: bonds (distance) C4'-P energy: -73.407 bonds (distance) P-C4' energy: -78.597 flat angles C4'-P-C4' energy: -87.434 flat angles P-C4'-P energy: -65.763 tors. eta vs tors. theta energy: -93.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -843.812198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.812198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.812198 (E_RNA) where: Base-Base interactions energy: -524.334 where: short stacking energy: -224.199 Base-Backbone interact. energy: 0.361 local terms energy: -319.838790 where: bonds (distance) C4'-P energy: -70.789 bonds (distance) P-C4' energy: -77.398 flat angles C4'-P-C4' energy: -91.607 flat angles P-C4'-P energy: -44.637 tors. eta vs tors. theta energy: -35.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1896.506732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.506732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.506732 (E_RNA) where: Base-Base interactions energy: -1344.880 where: short stacking energy: -529.585 Base-Backbone interact. energy: -0.494 local terms energy: -551.132925 where: bonds (distance) C4'-P energy: -98.656 bonds (distance) P-C4' energy: -99.213 flat angles C4'-P-C4' energy: -111.560 flat angles P-C4'-P energy: -81.092 tors. eta vs tors. theta energy: -160.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1811.858575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.858575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.858575 (E_RNA) where: Base-Base interactions energy: -1266.514 where: short stacking energy: -502.717 Base-Backbone interact. energy: -2.105 local terms energy: -543.240231 where: bonds (distance) C4'-P energy: -88.951 bonds (distance) P-C4' energy: -104.786 flat angles C4'-P-C4' energy: -113.589 flat angles P-C4'-P energy: -79.469 tors. eta vs tors. theta energy: -156.445 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: 412 Temperature: 1.000000 Total energy: -1766.616226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.616226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.616226 (E_RNA) where: Base-Base interactions energy: -1248.697 where: short stacking energy: -509.600 Base-Backbone interact. energy: 0.494 local terms energy: -518.413468 where: bonds (distance) C4'-P energy: -94.587 bonds (distance) P-C4' energy: -100.684 flat angles C4'-P-C4' energy: -103.035 flat angles P-C4'-P energy: -67.062 tors. eta vs tors. theta energy: -153.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1637.407522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.407522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.407522 (E_RNA) where: Base-Base interactions energy: -1142.023 where: short stacking energy: -455.379 Base-Backbone interact. energy: -2.165 local terms energy: -493.220028 where: bonds (distance) C4'-P energy: -82.941 bonds (distance) P-C4' energy: -96.420 flat angles C4'-P-C4' energy: -96.555 flat angles P-C4'-P energy: -69.683 tors. eta vs tors. theta energy: -147.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1588.192243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.192243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.192243 (E_RNA) where: Base-Base interactions energy: -1128.571 where: short stacking energy: -458.571 Base-Backbone interact. energy: -2.830 local terms energy: -456.790864 where: bonds (distance) C4'-P energy: -75.736 bonds (distance) P-C4' energy: -81.088 flat angles C4'-P-C4' energy: -95.072 flat angles P-C4'-P energy: -63.841 tors. eta vs tors. theta energy: -141.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1504.682428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.682428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.682428 (E_RNA) where: Base-Base interactions energy: -1048.158 where: short stacking energy: -431.375 Base-Backbone interact. energy: -0.854 local terms energy: -455.670222 where: bonds (distance) C4'-P energy: -79.945 bonds (distance) P-C4' energy: -84.802 flat angles C4'-P-C4' energy: -96.360 flat angles P-C4'-P energy: -62.626 tors. eta vs tors. theta energy: -131.936 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: 5 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1350.930286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.930286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.930286 (E_RNA) where: Base-Base interactions energy: -891.394 where: short stacking energy: -391.466 Base-Backbone interact. energy: 1.439 local terms energy: -460.975302 where: bonds (distance) C4'-P energy: -92.013 bonds (distance) P-C4' energy: -89.612 flat angles C4'-P-C4' energy: -106.894 flat angles P-C4'-P energy: -59.497 tors. eta vs tors. theta energy: -112.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1259.720427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.720427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.720427 (E_RNA) where: Base-Base interactions energy: -844.635 where: short stacking energy: -345.631 Base-Backbone interact. energy: -0.735 local terms energy: -414.349894 where: bonds (distance) C4'-P energy: -80.053 bonds (distance) P-C4' energy: -65.569 flat angles C4'-P-C4' energy: -97.881 flat angles P-C4'-P energy: -62.902 tors. eta vs tors. theta energy: -107.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -1209.284585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.284585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.284585 (E_RNA) where: Base-Base interactions energy: -826.888 where: short stacking energy: -359.557 Base-Backbone interact. energy: -0.834 local terms energy: -381.562596 where: bonds (distance) C4'-P energy: -67.121 bonds (distance) P-C4' energy: -76.746 flat angles C4'-P-C4' energy: -90.286 flat angles P-C4'-P energy: -52.309 tors. eta vs tors. theta energy: -95.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -857.946222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.946222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.946222 (E_RNA) where: Base-Base interactions energy: -535.576 where: short stacking energy: -222.176 Base-Backbone interact. energy: 0.354 local terms energy: -322.723445 where: bonds (distance) C4'-P energy: -77.917 bonds (distance) P-C4' energy: -78.242 flat angles C4'-P-C4' energy: -79.707 flat angles P-C4'-P energy: -45.092 tors. eta vs tors. theta energy: -41.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1925.084334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.084334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.084334 (E_RNA) where: Base-Base interactions energy: -1366.802 where: short stacking energy: -544.886 Base-Backbone interact. energy: 0.355 local terms energy: -558.637793 where: bonds (distance) C4'-P energy: -96.457 bonds (distance) P-C4' energy: -98.752 flat angles C4'-P-C4' energy: -120.661 flat angles P-C4'-P energy: -75.742 tors. eta vs tors. theta energy: -167.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1802.326091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.326091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.326091 (E_RNA) where: Base-Base interactions energy: -1274.977 where: short stacking energy: -512.805 Base-Backbone interact. energy: -0.321 local terms energy: -527.028186 where: bonds (distance) C4'-P energy: -92.480 bonds (distance) P-C4' energy: -91.100 flat angles C4'-P-C4' energy: -110.122 flat angles P-C4'-P energy: -79.923 tors. eta vs tors. theta energy: -153.404 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: 3 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1743.974873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.974873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.974873 (E_RNA) where: Base-Base interactions energy: -1231.076 where: short stacking energy: -504.171 Base-Backbone interact. energy: -1.159 local terms energy: -511.740475 where: bonds (distance) C4'-P energy: -85.572 bonds (distance) P-C4' energy: -86.575 flat angles C4'-P-C4' energy: -102.883 flat angles P-C4'-P energy: -77.129 tors. eta vs tors. theta energy: -159.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1638.966185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.966185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.966185 (E_RNA) where: Base-Base interactions energy: -1133.251 where: short stacking energy: -486.523 Base-Backbone interact. energy: -0.588 local terms energy: -505.127297 where: bonds (distance) C4'-P energy: -97.287 bonds (distance) P-C4' energy: -93.121 flat angles C4'-P-C4' energy: -100.145 flat angles P-C4'-P energy: -61.999 tors. eta vs tors. theta energy: -152.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1569.308384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.308384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.308384 (E_RNA) where: Base-Base interactions energy: -1087.909 where: short stacking energy: -446.832 Base-Backbone interact. energy: -0.714 local terms energy: -480.685092 where: bonds (distance) C4'-P energy: -87.107 bonds (distance) P-C4' energy: -92.017 flat angles C4'-P-C4' energy: -102.704 flat angles P-C4'-P energy: -59.812 tors. eta vs tors. theta energy: -139.045 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: 4 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1472.038141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.038141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.038141 (E_RNA) where: Base-Base interactions energy: -1009.123 where: short stacking energy: -407.998 Base-Backbone interact. energy: -1.436 local terms energy: -461.478578 where: bonds (distance) C4'-P energy: -89.902 bonds (distance) P-C4' energy: -85.224 flat angles C4'-P-C4' energy: -106.913 flat angles P-C4'-P energy: -59.223 tors. eta vs tors. theta energy: -120.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1332.943457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.943457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.943457 (E_RNA) where: Base-Base interactions energy: -907.198 where: short stacking energy: -382.215 Base-Backbone interact. energy: -1.929 local terms energy: -423.816125 where: bonds (distance) C4'-P energy: -76.355 bonds (distance) P-C4' energy: -85.221 flat angles C4'-P-C4' energy: -97.809 flat angles P-C4'-P energy: -56.292 tors. eta vs tors. theta energy: -108.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1230.715138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.715138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.715138 (E_RNA) where: Base-Base interactions energy: -833.399 where: short stacking energy: -348.719 Base-Backbone interact. energy: 0.975 local terms energy: -398.290939 where: bonds (distance) C4'-P energy: -88.386 bonds (distance) P-C4' energy: -72.905 flat angles C4'-P-C4' energy: -84.721 flat angles P-C4'-P energy: -57.354 tors. eta vs tors. theta energy: -94.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -1230.833187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.833187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.833187 (E_RNA) where: Base-Base interactions energy: -836.261 where: short stacking energy: -346.442 Base-Backbone interact. energy: -2.514 local terms energy: -392.058160 where: bonds (distance) C4'-P energy: -78.844 bonds (distance) P-C4' energy: -78.945 flat angles C4'-P-C4' energy: -79.045 flat angles P-C4'-P energy: -60.638 tors. eta vs tors. theta energy: -94.586 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: 10, replica: 9 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -820.735067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.735067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.735067 (E_RNA) where: Base-Base interactions energy: -498.589 where: short stacking energy: -220.394 Base-Backbone interact. energy: 3.475 local terms energy: -325.620624 where: bonds (distance) C4'-P energy: -78.248 bonds (distance) P-C4' energy: -77.935 flat angles C4'-P-C4' energy: -70.878 flat angles P-C4'-P energy: -50.888 tors. eta vs tors. theta energy: -47.672 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: 2 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1907.970449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.970449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.970449 (E_RNA) where: Base-Base interactions energy: -1339.740 where: short stacking energy: -551.886 Base-Backbone interact. energy: -0.876 local terms energy: -567.353759 where: bonds (distance) C4'-P energy: -100.971 bonds (distance) P-C4' energy: -97.639 flat angles C4'-P-C4' energy: -116.473 flat angles P-C4'-P energy: -78.691 tors. eta vs tors. theta energy: -173.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1801.439797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.439797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.439797 (E_RNA) where: Base-Base interactions energy: -1253.597 where: short stacking energy: -515.558 Base-Backbone interact. energy: -0.893 local terms energy: -546.950091 where: bonds (distance) C4'-P energy: -91.115 bonds (distance) P-C4' energy: -101.151 flat angles C4'-P-C4' energy: -105.079 flat angles P-C4'-P energy: -86.669 tors. eta vs tors. theta energy: -162.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1745.233932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.233932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.233932 (E_RNA) where: Base-Base interactions energy: -1238.594 where: short stacking energy: -500.007 Base-Backbone interact. energy: -0.445 local terms energy: -506.194724 where: bonds (distance) C4'-P energy: -89.084 bonds (distance) P-C4' energy: -90.490 flat angles C4'-P-C4' energy: -107.128 flat angles P-C4'-P energy: -69.743 tors. eta vs tors. theta energy: -149.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1634.172881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.172881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.172881 (E_RNA) where: Base-Base interactions energy: -1141.713 where: short stacking energy: -451.833 Base-Backbone interact. energy: -3.162 local terms energy: -489.297943 where: bonds (distance) C4'-P energy: -79.807 bonds (distance) P-C4' energy: -96.707 flat angles C4'-P-C4' energy: -93.554 flat angles P-C4'-P energy: -77.442 tors. eta vs tors. theta energy: -141.788 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: 6 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1560.560989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.560989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.560989 (E_RNA) where: Base-Base interactions energy: -1078.075 where: short stacking energy: -433.843 Base-Backbone interact. energy: 2.039 local terms energy: -484.524896 where: bonds (distance) C4'-P energy: -83.698 bonds (distance) P-C4' energy: -89.468 flat angles C4'-P-C4' energy: -104.205 flat angles P-C4'-P energy: -71.695 tors. eta vs tors. theta energy: -135.459 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: 6, replica: 4 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1427.873474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.873474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.873474 (E_RNA) where: Base-Base interactions energy: -988.521 where: short stacking energy: -418.726 Base-Backbone interact. energy: -1.002 local terms energy: -438.350510 where: bonds (distance) C4'-P energy: -89.697 bonds (distance) P-C4' energy: -90.629 flat angles C4'-P-C4' energy: -88.396 flat angles P-C4'-P energy: -52.224 tors. eta vs tors. theta energy: -117.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1350.145245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.145245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.145245 (E_RNA) where: Base-Base interactions energy: -935.424 where: short stacking energy: -395.738 Base-Backbone interact. energy: 4.302 local terms energy: -419.023699 where: bonds (distance) C4'-P energy: -86.259 bonds (distance) P-C4' energy: -63.269 flat angles C4'-P-C4' energy: -95.113 flat angles P-C4'-P energy: -55.828 tors. eta vs tors. theta energy: -118.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1255.456047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.456047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.456047 (E_RNA) where: Base-Base interactions energy: -832.320 where: short stacking energy: -362.814 Base-Backbone interact. energy: -1.070 local terms energy: -422.066115 where: bonds (distance) C4'-P energy: -83.476 bonds (distance) P-C4' energy: -78.760 flat angles C4'-P-C4' energy: -94.145 flat angles P-C4'-P energy: -57.716 tors. eta vs tors. theta energy: -107.968 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: 1 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -1222.817611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.817611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.817611 (E_RNA) where: Base-Base interactions energy: -839.596 where: short stacking energy: -346.792 Base-Backbone interact. energy: -0.676 local terms energy: -382.545639 where: bonds (distance) C4'-P energy: -73.209 bonds (distance) P-C4' energy: -94.278 flat angles C4'-P-C4' energy: -75.721 flat angles P-C4'-P energy: -49.706 tors. eta vs tors. theta energy: -89.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -790.007708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.007708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.007708 (E_RNA) where: Base-Base interactions energy: -475.705 where: short stacking energy: -220.266 Base-Backbone interact. energy: -1.110 local terms energy: -313.192519 where: bonds (distance) C4'-P energy: -61.954 bonds (distance) P-C4' energy: -89.258 flat angles C4'-P-C4' energy: -87.449 flat angles P-C4'-P energy: -45.426 tors. eta vs tors. theta energy: -29.106 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: 1, replica: 2 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1915.391466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.391466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.391466 (E_RNA) where: Base-Base interactions energy: -1368.099 where: short stacking energy: -551.808 Base-Backbone interact. energy: -1.518 local terms energy: -545.773790 where: bonds (distance) C4'-P energy: -94.742 bonds (distance) P-C4' energy: -89.365 flat angles C4'-P-C4' energy: -113.768 flat angles P-C4'-P energy: -75.153 tors. eta vs tors. theta energy: -172.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1812.171363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.171363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.171363 (E_RNA) where: Base-Base interactions energy: -1273.669 where: short stacking energy: -515.765 Base-Backbone interact. energy: -0.596 local terms energy: -537.906246 where: bonds (distance) C4'-P energy: -81.508 bonds (distance) P-C4' energy: -93.609 flat angles C4'-P-C4' energy: -119.582 flat angles P-C4'-P energy: -81.561 tors. eta vs tors. theta energy: -161.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1755.238128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.238128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.238128 (E_RNA) where: Base-Base interactions energy: -1235.715 where: short stacking energy: -497.967 Base-Backbone interact. energy: 1.032 local terms energy: -520.555393 where: bonds (distance) C4'-P energy: -94.824 bonds (distance) P-C4' energy: -81.825 flat angles C4'-P-C4' energy: -118.875 flat angles P-C4'-P energy: -67.620 tors. eta vs tors. theta energy: -157.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1646.535027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.535027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.535027 (E_RNA) where: Base-Base interactions energy: -1126.252 where: short stacking energy: -461.102 Base-Backbone interact. energy: -1.283 local terms energy: -518.999934 where: bonds (distance) C4'-P energy: -95.838 bonds (distance) P-C4' energy: -90.481 flat angles C4'-P-C4' energy: -108.883 flat angles P-C4'-P energy: -75.862 tors. eta vs tors. theta energy: -147.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1555.855255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.855255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.855255 (E_RNA) where: Base-Base interactions energy: -1090.228 where: short stacking energy: -428.113 Base-Backbone interact. energy: -1.715 local terms energy: -463.912761 where: bonds (distance) C4'-P energy: -79.035 bonds (distance) P-C4' energy: -96.011 flat angles C4'-P-C4' energy: -92.836 flat angles P-C4'-P energy: -73.751 tors. eta vs tors. theta energy: -122.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1467.379465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.379465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.379465 (E_RNA) where: Base-Base interactions energy: -1000.280 where: short stacking energy: -421.710 Base-Backbone interact. energy: -1.546 local terms energy: -465.553871 where: bonds (distance) C4'-P energy: -85.403 bonds (distance) P-C4' energy: -91.191 flat angles C4'-P-C4' energy: -101.768 flat angles P-C4'-P energy: -72.514 tors. eta vs tors. theta energy: -114.678 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: 5 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1374.093992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.093992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.093992 (E_RNA) where: Base-Base interactions energy: -959.226 where: short stacking energy: -385.983 Base-Backbone interact. energy: -2.122 local terms energy: -412.745834 where: bonds (distance) C4'-P energy: -79.062 bonds (distance) P-C4' energy: -74.313 flat angles C4'-P-C4' energy: -99.702 flat angles P-C4'-P energy: -53.892 tors. eta vs tors. theta energy: -105.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1241.607803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.607803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.607803 (E_RNA) where: Base-Base interactions energy: -836.938 where: short stacking energy: -360.591 Base-Backbone interact. energy: -0.485 local terms energy: -404.185060 where: bonds (distance) C4'-P energy: -80.677 bonds (distance) P-C4' energy: -70.238 flat angles C4'-P-C4' energy: -92.690 flat angles P-C4'-P energy: -59.583 tors. eta vs tors. theta energy: -100.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -1212.304463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.304463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.304463 (E_RNA) where: Base-Base interactions energy: -827.287 where: short stacking energy: -342.504 Base-Backbone interact. energy: -0.740 local terms energy: -384.278114 where: bonds (distance) C4'-P energy: -81.743 bonds (distance) P-C4' energy: -65.212 flat angles C4'-P-C4' energy: -93.284 flat angles P-C4'-P energy: -59.213 tors. eta vs tors. theta energy: -84.827 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: 9 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -806.856776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.856776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.856776 (E_RNA) where: Base-Base interactions energy: -485.587 where: short stacking energy: -216.168 Base-Backbone interact. energy: 0.530 local terms energy: -321.800007 where: bonds (distance) C4'-P energy: -84.556 bonds (distance) P-C4' energy: -71.820 flat angles C4'-P-C4' energy: -84.458 flat angles P-C4'-P energy: -44.495 tors. eta vs tors. theta energy: -36.472 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: 416 Temperature: 0.900000 Total energy: -1901.784215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.784215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.784215 (E_RNA) where: Base-Base interactions energy: -1332.152 where: short stacking energy: -534.941 Base-Backbone interact. energy: -2.185 local terms energy: -567.446763 where: bonds (distance) C4'-P energy: -104.855 bonds (distance) P-C4' energy: -98.699 flat angles C4'-P-C4' energy: -113.956 flat angles P-C4'-P energy: -74.258 tors. eta vs tors. theta energy: -175.678 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: 8 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1815.306819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.306819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.306819 (E_RNA) where: Base-Base interactions energy: -1269.698 where: short stacking energy: -514.381 Base-Backbone interact. energy: 0.044 local terms energy: -545.653051 where: bonds (distance) C4'-P energy: -97.295 bonds (distance) P-C4' energy: -102.310 flat angles C4'-P-C4' energy: -115.789 flat angles P-C4'-P energy: -68.659 tors. eta vs tors. theta energy: -161.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1774.158179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.158179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.158179 (E_RNA) where: Base-Base interactions energy: -1240.604 where: short stacking energy: -506.520 Base-Backbone interact. energy: -0.548 local terms energy: -533.006539 where: bonds (distance) C4'-P energy: -90.924 bonds (distance) P-C4' energy: -98.573 flat angles C4'-P-C4' energy: -109.122 flat angles P-C4'-P energy: -76.219 tors. eta vs tors. theta energy: -158.169 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: 7 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1654.281617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.281617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.281617 (E_RNA) where: Base-Base interactions energy: -1140.054 where: short stacking energy: -483.672 Base-Backbone interact. energy: 0.222 local terms energy: -514.449131 where: bonds (distance) C4'-P energy: -76.414 bonds (distance) P-C4' energy: -91.935 flat angles C4'-P-C4' energy: -107.545 flat angles P-C4'-P energy: -83.059 tors. eta vs tors. theta energy: -155.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1548.000860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.000860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.000860 (E_RNA) where: Base-Base interactions energy: -1091.619 where: short stacking energy: -434.115 Base-Backbone interact. energy: -2.152 local terms energy: -454.230111 where: bonds (distance) C4'-P energy: -83.367 bonds (distance) P-C4' energy: -76.208 flat angles C4'-P-C4' energy: -100.042 flat angles P-C4'-P energy: -69.992 tors. eta vs tors. theta energy: -124.621 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: 4 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1468.084876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.084876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.084876 (E_RNA) where: Base-Base interactions energy: -1028.333 where: short stacking energy: -412.547 Base-Backbone interact. energy: -1.135 local terms energy: -438.616604 where: bonds (distance) C4'-P energy: -82.178 bonds (distance) P-C4' energy: -67.900 flat angles C4'-P-C4' energy: -97.456 flat angles P-C4'-P energy: -65.631 tors. eta vs tors. theta energy: -125.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1427.589127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.589127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.589127 (E_RNA) where: Base-Base interactions energy: -977.057 where: short stacking energy: -378.682 Base-Backbone interact. energy: -0.485 local terms energy: -450.046364 where: bonds (distance) C4'-P energy: -97.462 bonds (distance) P-C4' energy: -83.345 flat angles C4'-P-C4' energy: -94.349 flat angles P-C4'-P energy: -55.305 tors. eta vs tors. theta energy: -119.585 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: 10 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1186.202662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.202662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.202662 (E_RNA) where: Base-Base interactions energy: -786.110 where: short stacking energy: -335.809 Base-Backbone interact. energy: -0.222 local terms energy: -399.869844 where: bonds (distance) C4'-P energy: -74.359 bonds (distance) P-C4' energy: -83.610 flat angles C4'-P-C4' energy: -92.547 flat angles P-C4'-P energy: -69.808 tors. eta vs tors. theta energy: -79.546 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: 1 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -1206.927700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.927700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.927700 (E_RNA) where: Base-Base interactions energy: -790.743 where: short stacking energy: -321.925 Base-Backbone interact. energy: -0.265 local terms energy: -415.920358 where: bonds (distance) C4'-P energy: -88.024 bonds (distance) P-C4' energy: -90.488 flat angles C4'-P-C4' energy: -87.069 flat angles P-C4'-P energy: -60.875 tors. eta vs tors. theta energy: -89.465 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: 9 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -801.423486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.423486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.423486 (E_RNA) where: Base-Base interactions energy: -491.072 where: short stacking energy: -234.275 Base-Backbone interact. energy: -0.684 local terms energy: -309.666618 where: bonds (distance) C4'-P energy: -73.587 bonds (distance) P-C4' energy: -73.671 flat angles C4'-P-C4' energy: -77.031 flat angles P-C4'-P energy: -56.362 tors. eta vs tors. theta energy: -29.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1912.084533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.084533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.084533 (E_RNA) where: Base-Base interactions energy: -1368.410 where: short stacking energy: -553.133 Base-Backbone interact. energy: 0.530 local terms energy: -544.203908 where: bonds (distance) C4'-P energy: -97.232 bonds (distance) P-C4' energy: -90.353 flat angles C4'-P-C4' energy: -107.980 flat angles P-C4'-P energy: -82.814 tors. eta vs tors. theta energy: -165.824 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: 8 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1805.491774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.491774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.491774 (E_RNA) where: Base-Base interactions energy: -1257.429 where: short stacking energy: -519.901 Base-Backbone interact. energy: -0.270 local terms energy: -547.793407 where: bonds (distance) C4'-P energy: -102.871 bonds (distance) P-C4' energy: -102.410 flat angles C4'-P-C4' energy: -121.699 flat angles P-C4'-P energy: -67.242 tors. eta vs tors. theta energy: -153.572 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: 3 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1767.740929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.740929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.740929 (E_RNA) where: Base-Base interactions energy: -1251.092 where: short stacking energy: -501.481 Base-Backbone interact. energy: 3.092 local terms energy: -519.740511 where: bonds (distance) C4'-P energy: -83.029 bonds (distance) P-C4' energy: -103.432 flat angles C4'-P-C4' energy: -117.323 flat angles P-C4'-P energy: -65.761 tors. eta vs tors. theta energy: -150.195 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: 7 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1665.067953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.067953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.067953 (E_RNA) where: Base-Base interactions energy: -1137.226 where: short stacking energy: -471.845 Base-Backbone interact. energy: -2.420 local terms energy: -525.422171 where: bonds (distance) C4'-P energy: -103.991 bonds (distance) P-C4' energy: -82.235 flat angles C4'-P-C4' energy: -110.689 flat angles P-C4'-P energy: -71.511 tors. eta vs tors. theta energy: -156.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1577.238323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.238323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.238323 (E_RNA) where: Base-Base interactions energy: -1111.702 where: short stacking energy: -449.506 Base-Backbone interact. energy: 0.311 local terms energy: -465.847078 where: bonds (distance) C4'-P energy: -80.499 bonds (distance) P-C4' energy: -83.074 flat angles C4'-P-C4' energy: -101.020 flat angles P-C4'-P energy: -61.399 tors. eta vs tors. theta energy: -139.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1441.903955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.903955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.903955 (E_RNA) where: Base-Base interactions energy: -1013.255 where: short stacking energy: -422.396 Base-Backbone interact. energy: 0.515 local terms energy: -429.163664 where: bonds (distance) C4'-P energy: -78.628 bonds (distance) P-C4' energy: -77.365 flat angles C4'-P-C4' energy: -89.318 flat angles P-C4'-P energy: -65.043 tors. eta vs tors. theta energy: -118.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1447.161633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.161633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.161633 (E_RNA) where: Base-Base interactions energy: -1014.060 where: short stacking energy: -402.533 Base-Backbone interact. energy: 0.329 local terms energy: -433.430861 where: bonds (distance) C4'-P energy: -79.748 bonds (distance) P-C4' energy: -78.354 flat angles C4'-P-C4' energy: -90.636 flat angles P-C4'-P energy: -68.005 tors. eta vs tors. theta energy: -116.689 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: 8, replica: 1 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1275.329142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.329142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.329142 (E_RNA) where: Base-Base interactions energy: -858.297 where: short stacking energy: -359.508 Base-Backbone interact. energy: 0.037 local terms energy: -417.069622 where: bonds (distance) C4'-P energy: -75.384 bonds (distance) P-C4' energy: -81.262 flat angles C4'-P-C4' energy: -89.096 flat angles P-C4'-P energy: -65.320 tors. eta vs tors. theta energy: -106.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -1127.511131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.511131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.511131 (E_RNA) where: Base-Base interactions energy: -766.153 where: short stacking energy: -326.557 Base-Backbone interact. energy: -1.863 local terms energy: -359.495177 where: bonds (distance) C4'-P energy: -71.239 bonds (distance) P-C4' energy: -78.654 flat angles C4'-P-C4' energy: -83.501 flat angles P-C4'-P energy: -53.282 tors. eta vs tors. theta energy: -72.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -795.533638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.533638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.533638 (E_RNA) where: Base-Base interactions energy: -482.029 where: short stacking energy: -211.363 Base-Backbone interact. energy: -1.871 local terms energy: -311.633632 where: bonds (distance) C4'-P energy: -66.396 bonds (distance) P-C4' energy: -77.760 flat angles C4'-P-C4' energy: -78.778 flat angles P-C4'-P energy: -48.159 tors. eta vs tors. theta energy: -40.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1932.534160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.534160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.534160 (E_RNA) where: Base-Base interactions energy: -1371.024 where: short stacking energy: -546.659 Base-Backbone interact. energy: -0.176 local terms energy: -561.334433 where: bonds (distance) C4'-P energy: -102.592 bonds (distance) P-C4' energy: -97.354 flat angles C4'-P-C4' energy: -114.130 flat angles P-C4'-P energy: -83.313 tors. eta vs tors. theta energy: -163.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1773.471912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.471912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.471912 (E_RNA) where: Base-Base interactions energy: -1258.889 where: short stacking energy: -506.123 Base-Backbone interact. energy: -0.967 local terms energy: -513.616319 where: bonds (distance) C4'-P energy: -95.585 bonds (distance) P-C4' energy: -72.366 flat angles C4'-P-C4' energy: -112.921 flat angles P-C4'-P energy: -78.381 tors. eta vs tors. theta energy: -154.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1753.520302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.520302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.520302 (E_RNA) where: Base-Base interactions energy: -1242.559 where: short stacking energy: -488.307 Base-Backbone interact. energy: -1.735 local terms energy: -509.226613 where: bonds (distance) C4'-P energy: -90.942 bonds (distance) P-C4' energy: -93.487 flat angles C4'-P-C4' energy: -103.490 flat angles P-C4'-P energy: -67.309 tors. eta vs tors. theta energy: -153.999 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: 7 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1648.575448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.575448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.575448 (E_RNA) where: Base-Base interactions energy: -1131.742 where: short stacking energy: -467.538 Base-Backbone interact. energy: 0.359 local terms energy: -517.192215 where: bonds (distance) C4'-P energy: -74.618 bonds (distance) P-C4' energy: -100.259 flat angles C4'-P-C4' energy: -116.749 flat angles P-C4'-P energy: -78.898 tors. eta vs tors. theta energy: -146.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1543.930113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.930113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.930113 (E_RNA) where: Base-Base interactions energy: -1078.177 where: short stacking energy: -451.531 Base-Backbone interact. energy: -2.684 local terms energy: -463.068951 where: bonds (distance) C4'-P energy: -87.236 bonds (distance) P-C4' energy: -87.741 flat angles C4'-P-C4' energy: -99.449 flat angles P-C4'-P energy: -65.060 tors. eta vs tors. theta energy: -123.583 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: 6, replica: 5 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1424.910232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.910232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.910232 (E_RNA) where: Base-Base interactions energy: -969.745 where: short stacking energy: -386.076 Base-Backbone interact. energy: -0.009 local terms energy: -455.155564 where: bonds (distance) C4'-P energy: -86.557 bonds (distance) P-C4' energy: -84.184 flat angles C4'-P-C4' energy: -104.401 flat angles P-C4'-P energy: -64.010 tors. eta vs tors. theta energy: -116.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1400.618484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.618484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.618484 (E_RNA) where: Base-Base interactions energy: -968.773 where: short stacking energy: -396.512 Base-Backbone interact. energy: 0.063 local terms energy: -431.908541 where: bonds (distance) C4'-P energy: -74.798 bonds (distance) P-C4' energy: -89.162 flat angles C4'-P-C4' energy: -95.920 flat angles P-C4'-P energy: -57.705 tors. eta vs tors. theta energy: -114.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1239.783937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.783937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.783937 (E_RNA) where: Base-Base interactions energy: -862.687 where: short stacking energy: -335.073 Base-Backbone interact. energy: -0.603 local terms energy: -376.494043 where: bonds (distance) C4'-P energy: -76.714 bonds (distance) P-C4' energy: -80.263 flat angles C4'-P-C4' energy: -77.095 flat angles P-C4'-P energy: -56.723 tors. eta vs tors. theta energy: -85.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -1152.404096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.404096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.404096 (E_RNA) where: Base-Base interactions energy: -758.177 where: short stacking energy: -320.427 Base-Backbone interact. energy: -0.304 local terms energy: -393.923005 where: bonds (distance) C4'-P energy: -77.317 bonds (distance) P-C4' energy: -82.882 flat angles C4'-P-C4' energy: -87.719 flat angles P-C4'-P energy: -59.436 tors. eta vs tors. theta energy: -86.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -767.543531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.543531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.543531 (E_RNA) where: Base-Base interactions energy: -490.728 where: short stacking energy: -233.105 Base-Backbone interact. energy: 1.480 local terms energy: -278.295292 where: bonds (distance) C4'-P energy: -57.015 bonds (distance) P-C4' energy: -84.873 flat angles C4'-P-C4' energy: -69.988 flat angles P-C4'-P energy: -31.521 tors. eta vs tors. theta energy: -34.898 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: 2 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1897.321909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.321909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.321909 (E_RNA) where: Base-Base interactions energy: -1333.416 where: short stacking energy: -531.151 Base-Backbone interact. energy: -1.819 local terms energy: -562.086860 where: bonds (distance) C4'-P energy: -99.984 bonds (distance) P-C4' energy: -105.435 flat angles C4'-P-C4' energy: -107.417 flat angles P-C4'-P energy: -78.241 tors. eta vs tors. theta energy: -171.010 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: 3 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1787.064121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.064121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.064121 (E_RNA) where: Base-Base interactions energy: -1245.681 where: short stacking energy: -509.984 Base-Backbone interact. energy: 0.922 local terms energy: -542.305720 where: bonds (distance) C4'-P energy: -102.701 bonds (distance) P-C4' energy: -85.192 flat angles C4'-P-C4' energy: -109.582 flat angles P-C4'-P energy: -82.686 tors. eta vs tors. theta energy: -162.144 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: 8 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1774.639286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.639286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.639286 (E_RNA) where: Base-Base interactions energy: -1243.568 where: short stacking energy: -503.833 Base-Backbone interact. energy: -1.104 local terms energy: -529.967292 where: bonds (distance) C4'-P energy: -100.312 bonds (distance) P-C4' energy: -85.729 flat angles C4'-P-C4' energy: -115.570 flat angles P-C4'-P energy: -78.822 tors. eta vs tors. theta energy: -149.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1632.647980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.647980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.647980 (E_RNA) where: Base-Base interactions energy: -1159.164 where: short stacking energy: -458.353 Base-Backbone interact. energy: -1.260 local terms energy: -472.224567 where: bonds (distance) C4'-P energy: -83.524 bonds (distance) P-C4' energy: -68.125 flat angles C4'-P-C4' energy: -102.190 flat angles P-C4'-P energy: -81.374 tors. eta vs tors. theta energy: -137.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1580.803941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.803941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.803941 (E_RNA) where: Base-Base interactions energy: -1099.766 where: short stacking energy: -463.353 Base-Backbone interact. energy: -0.595 local terms energy: -480.442409 where: bonds (distance) C4'-P energy: -94.715 bonds (distance) P-C4' energy: -85.405 flat angles C4'-P-C4' energy: -88.868 flat angles P-C4'-P energy: -76.042 tors. eta vs tors. theta energy: -135.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1520.802807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.802807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.802807 (E_RNA) where: Base-Base interactions energy: -1041.505 where: short stacking energy: -413.675 Base-Backbone interact. energy: -1.049 local terms energy: -478.248712 where: bonds (distance) C4'-P energy: -82.296 bonds (distance) P-C4' energy: -86.115 flat angles C4'-P-C4' energy: -115.806 flat angles P-C4'-P energy: -67.698 tors. eta vs tors. theta energy: -126.334 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: 4 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1432.449927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.449927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.449927 (E_RNA) where: Base-Base interactions energy: -980.569 where: short stacking energy: -406.294 Base-Backbone interact. energy: -0.162 local terms energy: -451.719359 where: bonds (distance) C4'-P energy: -80.641 bonds (distance) P-C4' energy: -99.509 flat angles C4'-P-C4' energy: -87.116 flat angles P-C4'-P energy: -70.100 tors. eta vs tors. theta energy: -114.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1266.755478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.755478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.755478 (E_RNA) where: Base-Base interactions energy: -844.986 where: short stacking energy: -348.722 Base-Backbone interact. energy: 2.575 local terms energy: -424.344618 where: bonds (distance) C4'-P energy: -83.969 bonds (distance) P-C4' energy: -93.572 flat angles C4'-P-C4' energy: -84.989 flat angles P-C4'-P energy: -56.128 tors. eta vs tors. theta energy: -105.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -1180.287791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.287791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.287791 (E_RNA) where: Base-Base interactions energy: -771.597 where: short stacking energy: -330.360 Base-Backbone interact. energy: -0.833 local terms energy: -407.858421 where: bonds (distance) C4'-P energy: -79.104 bonds (distance) P-C4' energy: -90.764 flat angles C4'-P-C4' energy: -88.041 flat angles P-C4'-P energy: -62.313 tors. eta vs tors. theta energy: -87.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -778.977423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.977423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.977423 (E_RNA) where: Base-Base interactions energy: -451.094 where: short stacking energy: -216.524 Base-Backbone interact. energy: 1.221 local terms energy: -329.104622 where: bonds (distance) C4'-P energy: -69.225 bonds (distance) P-C4' energy: -76.144 flat angles C4'-P-C4' energy: -89.611 flat angles P-C4'-P energy: -52.423 tors. eta vs tors. theta energy: -41.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1895.311141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.311141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.311141 (E_RNA) where: Base-Base interactions energy: -1349.411 where: short stacking energy: -529.008 Base-Backbone interact. energy: 0.113 local terms energy: -546.013532 where: bonds (distance) C4'-P energy: -94.254 bonds (distance) P-C4' energy: -97.843 flat angles C4'-P-C4' energy: -114.531 flat angles P-C4'-P energy: -79.853 tors. eta vs tors. theta energy: -159.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1813.197180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.197180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.197180 (E_RNA) where: Base-Base interactions energy: -1262.754 where: short stacking energy: -503.240 Base-Backbone interact. energy: -0.225 local terms energy: -550.218379 where: bonds (distance) C4'-P energy: -102.453 bonds (distance) P-C4' energy: -95.343 flat angles C4'-P-C4' energy: -109.735 flat angles P-C4'-P energy: -87.589 tors. eta vs tors. theta energy: -155.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1772.557698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.557698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.557698 (E_RNA) where: Base-Base interactions energy: -1271.236 where: short stacking energy: -509.164 Base-Backbone interact. energy: 2.189 local terms energy: -503.511669 where: bonds (distance) C4'-P energy: -87.950 bonds (distance) P-C4' energy: -72.857 flat angles C4'-P-C4' energy: -114.009 flat angles P-C4'-P energy: -69.587 tors. eta vs tors. theta energy: -159.109 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: 7 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1673.310899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.310899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.310899 (E_RNA) where: Base-Base interactions energy: -1156.179 where: short stacking energy: -486.373 Base-Backbone interact. energy: -2.726 local terms energy: -514.406467 where: bonds (distance) C4'-P energy: -92.365 bonds (distance) P-C4' energy: -94.567 flat angles C4'-P-C4' energy: -104.505 flat angles P-C4'-P energy: -68.300 tors. eta vs tors. theta energy: -154.669 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: 6 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1562.053166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.053166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.053166 (E_RNA) where: Base-Base interactions energy: -1087.466 where: short stacking energy: -446.905 Base-Backbone interact. energy: -2.545 local terms energy: -472.042749 where: bonds (distance) C4'-P energy: -76.484 bonds (distance) P-C4' energy: -95.075 flat angles C4'-P-C4' energy: -93.112 flat angles P-C4'-P energy: -74.664 tors. eta vs tors. theta energy: -132.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1468.300883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.300883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.300883 (E_RNA) where: Base-Base interactions energy: -1012.715 where: short stacking energy: -401.974 Base-Backbone interact. energy: -0.317 local terms energy: -455.268971 where: bonds (distance) C4'-P energy: -75.718 bonds (distance) P-C4' energy: -97.952 flat angles C4'-P-C4' energy: -98.039 flat angles P-C4'-P energy: -65.826 tors. eta vs tors. theta energy: -117.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1438.202209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.202209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.202209 (E_RNA) where: Base-Base interactions energy: -988.390 where: short stacking energy: -390.164 Base-Backbone interact. energy: -2.739 local terms energy: -447.073477 where: bonds (distance) C4'-P energy: -93.115 bonds (distance) P-C4' energy: -71.536 flat angles C4'-P-C4' energy: -95.600 flat angles P-C4'-P energy: -68.076 tors. eta vs tors. theta energy: -118.747 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: 1 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1253.457225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.457225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.457225 (E_RNA) where: Base-Base interactions energy: -861.435 where: short stacking energy: -368.372 Base-Backbone interact. energy: -2.890 local terms energy: -389.133017 where: bonds (distance) C4'-P energy: -70.021 bonds (distance) P-C4' energy: -77.661 flat angles C4'-P-C4' energy: -86.725 flat angles P-C4'-P energy: -47.856 tors. eta vs tors. theta energy: -106.870 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: 10 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -1171.685542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.685542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.685542 (E_RNA) where: Base-Base interactions energy: -782.112 where: short stacking energy: -318.005 Base-Backbone interact. energy: -1.409 local terms energy: -388.164808 where: bonds (distance) C4'-P energy: -85.602 bonds (distance) P-C4' energy: -80.411 flat angles C4'-P-C4' energy: -76.479 flat angles P-C4'-P energy: -59.776 tors. eta vs tors. theta energy: -85.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -747.064811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.064811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.064811 (E_RNA) where: Base-Base interactions energy: -466.201 where: short stacking energy: -224.169 Base-Backbone interact. energy: 1.954 local terms energy: -282.817708 where: bonds (distance) C4'-P energy: -62.340 bonds (distance) P-C4' energy: -78.243 flat angles C4'-P-C4' energy: -71.860 flat angles P-C4'-P energy: -37.567 tors. eta vs tors. theta energy: -32.809 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: 1, replica: 2 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1885.846037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.846037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.846037 (E_RNA) where: Base-Base interactions energy: -1351.467 where: short stacking energy: -539.413 Base-Backbone interact. energy: 0.510 local terms energy: -534.888922 where: bonds (distance) C4'-P energy: -88.960 bonds (distance) P-C4' energy: -85.818 flat angles C4'-P-C4' energy: -119.198 flat angles P-C4'-P energy: -73.576 tors. eta vs tors. theta energy: -167.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1784.262419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.262419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.262419 (E_RNA) where: Base-Base interactions energy: -1249.444 where: short stacking energy: -516.981 Base-Backbone interact. energy: -0.993 local terms energy: -533.824564 where: bonds (distance) C4'-P energy: -94.971 bonds (distance) P-C4' energy: -97.364 flat angles C4'-P-C4' energy: -110.581 flat angles P-C4'-P energy: -70.080 tors. eta vs tors. theta energy: -160.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1780.080373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.080373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.080373 (E_RNA) where: Base-Base interactions energy: -1259.066 where: short stacking energy: -491.514 Base-Backbone interact. energy: -0.228 local terms energy: -520.786388 where: bonds (distance) C4'-P energy: -96.379 bonds (distance) P-C4' energy: -87.922 flat angles C4'-P-C4' energy: -103.688 flat angles P-C4'-P energy: -73.516 tors. eta vs tors. theta energy: -159.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1660.929026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.929026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.929026 (E_RNA) where: Base-Base interactions energy: -1173.461 where: short stacking energy: -473.009 Base-Backbone interact. energy: -0.508 local terms energy: -486.960575 where: bonds (distance) C4'-P energy: -75.161 bonds (distance) P-C4' energy: -90.947 flat angles C4'-P-C4' energy: -94.552 flat angles P-C4'-P energy: -76.489 tors. eta vs tors. theta energy: -149.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1607.472609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.472609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.472609 (E_RNA) where: Base-Base interactions energy: -1126.961 where: short stacking energy: -455.053 Base-Backbone interact. energy: -0.262 local terms energy: -480.249974 where: bonds (distance) C4'-P energy: -94.735 bonds (distance) P-C4' energy: -77.657 flat angles C4'-P-C4' energy: -96.650 flat angles P-C4'-P energy: -66.224 tors. eta vs tors. theta energy: -144.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1460.568784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.568784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.568784 (E_RNA) where: Base-Base interactions energy: -1011.279 where: short stacking energy: -405.689 Base-Backbone interact. energy: -2.204 local terms energy: -447.085652 where: bonds (distance) C4'-P energy: -69.178 bonds (distance) P-C4' energy: -91.579 flat angles C4'-P-C4' energy: -99.336 flat angles P-C4'-P energy: -62.673 tors. eta vs tors. theta energy: -124.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1447.081270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.081270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.081270 (E_RNA) where: Base-Base interactions energy: -986.007 where: short stacking energy: -402.825 Base-Backbone interact. energy: -0.678 local terms energy: -460.396061 where: bonds (distance) C4'-P energy: -80.989 bonds (distance) P-C4' energy: -87.118 flat angles C4'-P-C4' energy: -107.899 flat angles P-C4'-P energy: -49.597 tors. eta vs tors. theta energy: -134.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1269.029276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.029276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.029276 (E_RNA) where: Base-Base interactions energy: -863.021 where: short stacking energy: -345.360 Base-Backbone interact. energy: 0.362 local terms energy: -406.370406 where: bonds (distance) C4'-P energy: -81.699 bonds (distance) P-C4' energy: -87.694 flat angles C4'-P-C4' energy: -85.243 flat angles P-C4'-P energy: -63.095 tors. eta vs tors. theta energy: -88.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -1154.666476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.666476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.666476 (E_RNA) where: Base-Base interactions energy: -774.526 where: short stacking energy: -327.354 Base-Backbone interact. energy: -0.905 local terms energy: -379.234905 where: bonds (distance) C4'-P energy: -75.565 bonds (distance) P-C4' energy: -89.341 flat angles C4'-P-C4' energy: -78.613 flat angles P-C4'-P energy: -45.912 tors. eta vs tors. theta energy: -89.804 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: 421 Temperature: 1.350000 Total energy: -747.931686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.931686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.931686 (E_RNA) where: Base-Base interactions energy: -431.806 where: short stacking energy: -185.393 Base-Backbone interact. energy: 1.601 local terms energy: -317.726017 where: bonds (distance) C4'-P energy: -71.428 bonds (distance) P-C4' energy: -81.549 flat angles C4'-P-C4' energy: -81.863 flat angles P-C4'-P energy: -47.028 tors. eta vs tors. theta energy: -35.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1906.770519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.770519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.770519 (E_RNA) where: Base-Base interactions energy: -1346.798 where: short stacking energy: -531.750 Base-Backbone interact. energy: -0.321 local terms energy: -559.651644 where: bonds (distance) C4'-P energy: -91.420 bonds (distance) P-C4' energy: -104.119 flat angles C4'-P-C4' energy: -112.185 flat angles P-C4'-P energy: -86.652 tors. eta vs tors. theta energy: -165.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1778.548209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.548209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.548209 (E_RNA) where: Base-Base interactions energy: -1257.606 where: short stacking energy: -518.276 Base-Backbone interact. energy: 0.890 local terms energy: -521.831964 where: bonds (distance) C4'-P energy: -97.756 bonds (distance) P-C4' energy: -95.291 flat angles C4'-P-C4' energy: -106.724 flat angles P-C4'-P energy: -67.382 tors. eta vs tors. theta energy: -154.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1764.782452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.782452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.782452 (E_RNA) where: Base-Base interactions energy: -1260.417 where: short stacking energy: -525.675 Base-Backbone interact. energy: -0.133 local terms energy: -504.232439 where: bonds (distance) C4'-P energy: -80.028 bonds (distance) P-C4' energy: -79.511 flat angles C4'-P-C4' energy: -108.839 flat angles P-C4'-P energy: -77.501 tors. eta vs tors. theta energy: -158.353 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: 422 Temperature: 1.050000 Total energy: -1669.163169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.163169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.163169 (E_RNA) where: Base-Base interactions energy: -1177.211 where: short stacking energy: -500.393 Base-Backbone interact. energy: -2.819 local terms energy: -489.133290 where: bonds (distance) C4'-P energy: -87.452 bonds (distance) P-C4' energy: -89.474 flat angles C4'-P-C4' energy: -101.852 flat angles P-C4'-P energy: -54.275 tors. eta vs tors. theta energy: -156.080 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: 6 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1617.771600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.771600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.771600 (E_RNA) where: Base-Base interactions energy: -1143.696 where: short stacking energy: -448.498 Base-Backbone interact. energy: -1.443 local terms energy: -472.632564 where: bonds (distance) C4'-P energy: -77.662 bonds (distance) P-C4' energy: -95.503 flat angles C4'-P-C4' energy: -95.869 flat angles P-C4'-P energy: -66.926 tors. eta vs tors. theta energy: -136.673 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: 5 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1468.129250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.129250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.129250 (E_RNA) where: Base-Base interactions energy: -1040.749 where: short stacking energy: -417.708 Base-Backbone interact. energy: -1.288 local terms energy: -426.092488 where: bonds (distance) C4'-P energy: -65.361 bonds (distance) P-C4' energy: -80.702 flat angles C4'-P-C4' energy: -91.507 flat angles P-C4'-P energy: -60.326 tors. eta vs tors. theta energy: -128.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1422.489567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.489567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.489567 (E_RNA) where: Base-Base interactions energy: -966.987 where: short stacking energy: -379.939 Base-Backbone interact. energy: -2.537 local terms energy: -452.964666 where: bonds (distance) C4'-P energy: -84.960 bonds (distance) P-C4' energy: -86.643 flat angles C4'-P-C4' energy: -100.623 flat angles P-C4'-P energy: -63.813 tors. eta vs tors. theta energy: -116.924 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: 1 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1263.681033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.681033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.681033 (E_RNA) where: Base-Base interactions energy: -836.044 where: short stacking energy: -334.219 Base-Backbone interact. energy: 0.107 local terms energy: -427.744330 where: bonds (distance) C4'-P energy: -73.334 bonds (distance) P-C4' energy: -85.966 flat angles C4'-P-C4' energy: -91.870 flat angles P-C4'-P energy: -72.672 tors. eta vs tors. theta energy: -103.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -1149.584494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.584494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.584494 (E_RNA) where: Base-Base interactions energy: -760.178 where: short stacking energy: -321.437 Base-Backbone interact. energy: 4.603 local terms energy: -394.009940 where: bonds (distance) C4'-P energy: -85.337 bonds (distance) P-C4' energy: -98.756 flat angles C4'-P-C4' energy: -80.480 flat angles P-C4'-P energy: -50.770 tors. eta vs tors. theta energy: -78.667 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: 9 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -743.080198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.080198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.080198 (E_RNA) where: Base-Base interactions energy: -442.369 where: short stacking energy: -198.799 Base-Backbone interact. energy: -2.291 local terms energy: -298.420480 where: bonds (distance) C4'-P energy: -78.118 bonds (distance) P-C4' energy: -90.227 flat angles C4'-P-C4' energy: -63.182 flat angles P-C4'-P energy: -40.804 tors. eta vs tors. theta energy: -26.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1910.321710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.321710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.321710 (E_RNA) where: Base-Base interactions energy: -1352.530 where: short stacking energy: -536.395 Base-Backbone interact. energy: -1.268 local terms energy: -556.523184 where: bonds (distance) C4'-P energy: -92.624 bonds (distance) P-C4' energy: -90.267 flat angles C4'-P-C4' energy: -115.436 flat angles P-C4'-P energy: -86.839 tors. eta vs tors. theta energy: -171.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1797.012255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.012255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.012255 (E_RNA) where: Base-Base interactions energy: -1259.227 where: short stacking energy: -501.426 Base-Backbone interact. energy: 0.159 local terms energy: -537.944344 where: bonds (distance) C4'-P energy: -92.477 bonds (distance) P-C4' energy: -103.838 flat angles C4'-P-C4' energy: -104.445 flat angles P-C4'-P energy: -78.527 tors. eta vs tors. theta energy: -158.657 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: 423 Temperature: 1.000000 Total energy: -1777.706604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.706604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.706604 (E_RNA) where: Base-Base interactions energy: -1242.662 where: short stacking energy: -512.520 Base-Backbone interact. energy: -1.466 local terms energy: -533.578149 where: bonds (distance) C4'-P energy: -92.693 bonds (distance) P-C4' energy: -80.894 flat angles C4'-P-C4' energy: -117.980 flat angles P-C4'-P energy: -86.553 tors. eta vs tors. theta energy: -155.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1655.753240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.753240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.753240 (E_RNA) where: Base-Base interactions energy: -1154.755 where: short stacking energy: -471.370 Base-Backbone interact. energy: -3.432 local terms energy: -497.566368 where: bonds (distance) C4'-P energy: -93.246 bonds (distance) P-C4' energy: -85.825 flat angles C4'-P-C4' energy: -93.642 flat angles P-C4'-P energy: -72.891 tors. eta vs tors. theta energy: -151.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1527.940415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.940415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.940415 (E_RNA) where: Base-Base interactions energy: -1067.854 where: short stacking energy: -432.833 Base-Backbone interact. energy: -1.348 local terms energy: -458.738490 where: bonds (distance) C4'-P energy: -96.266 bonds (distance) P-C4' energy: -87.854 flat angles C4'-P-C4' energy: -98.208 flat angles P-C4'-P energy: -47.578 tors. eta vs tors. theta energy: -128.832 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: 5 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1446.394300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.394300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.394300 (E_RNA) where: Base-Base interactions energy: -992.211 where: short stacking energy: -407.303 Base-Backbone interact. energy: -1.509 local terms energy: -452.675110 where: bonds (distance) C4'-P energy: -80.262 bonds (distance) P-C4' energy: -84.442 flat angles C4'-P-C4' energy: -98.216 flat angles P-C4'-P energy: -68.481 tors. eta vs tors. theta energy: -121.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1438.286581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.286581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.286581 (E_RNA) where: Base-Base interactions energy: -974.969 where: short stacking energy: -399.720 Base-Backbone interact. energy: -1.393 local terms energy: -461.923650 where: bonds (distance) C4'-P energy: -75.525 bonds (distance) P-C4' energy: -88.435 flat angles C4'-P-C4' energy: -89.860 flat angles P-C4'-P energy: -75.367 tors. eta vs tors. theta energy: -132.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1295.378697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.378697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.378697 (E_RNA) where: Base-Base interactions energy: -872.249 where: short stacking energy: -350.830 Base-Backbone interact. energy: -1.438 local terms energy: -421.691774 where: bonds (distance) C4'-P energy: -84.470 bonds (distance) P-C4' energy: -85.045 flat angles C4'-P-C4' energy: -95.829 flat angles P-C4'-P energy: -59.636 tors. eta vs tors. theta energy: -96.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -1170.223559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.223559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.223559 (E_RNA) where: Base-Base interactions energy: -757.709 where: short stacking energy: -321.170 Base-Backbone interact. energy: -0.761 local terms energy: -411.753947 where: bonds (distance) C4'-P energy: -79.753 bonds (distance) P-C4' energy: -84.851 flat angles C4'-P-C4' energy: -89.996 flat angles P-C4'-P energy: -64.203 tors. eta vs tors. theta energy: -92.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -794.103378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.103378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.103378 (E_RNA) where: Base-Base interactions energy: -499.492 where: short stacking energy: -233.558 Base-Backbone interact. energy: -0.671 local terms energy: -293.939771 where: bonds (distance) C4'-P energy: -65.816 bonds (distance) P-C4' energy: -76.351 flat angles C4'-P-C4' energy: -69.984 flat angles P-C4'-P energy: -48.129 tors. eta vs tors. theta energy: -33.660 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: 2 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1901.525785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.525785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.525785 (E_RNA) where: Base-Base interactions energy: -1332.061 where: short stacking energy: -536.182 Base-Backbone interact. energy: -0.837 local terms energy: -568.627551 where: bonds (distance) C4'-P energy: -94.632 bonds (distance) P-C4' energy: -109.710 flat angles C4'-P-C4' energy: -118.075 flat angles P-C4'-P energy: -80.370 tors. eta vs tors. theta energy: -165.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1799.478871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.478871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.478871 (E_RNA) where: Base-Base interactions energy: -1269.755 where: short stacking energy: -524.609 Base-Backbone interact. energy: -0.001 local terms energy: -529.723181 where: bonds (distance) C4'-P energy: -96.766 bonds (distance) P-C4' energy: -75.985 flat angles C4'-P-C4' energy: -122.525 flat angles P-C4'-P energy: -74.455 tors. eta vs tors. theta energy: -159.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1749.049105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.049105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.049105 (E_RNA) where: Base-Base interactions energy: -1237.353 where: short stacking energy: -487.369 Base-Backbone interact. energy: -0.045 local terms energy: -511.650338 where: bonds (distance) C4'-P energy: -95.652 bonds (distance) P-C4' energy: -88.097 flat angles C4'-P-C4' energy: -108.906 flat angles P-C4'-P energy: -74.511 tors. eta vs tors. theta energy: -144.485 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: 4, replica: 7 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1699.164684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.164684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.164684 (E_RNA) where: Base-Base interactions energy: -1195.459 where: short stacking energy: -473.977 Base-Backbone interact. energy: 2.416 local terms energy: -506.122153 where: bonds (distance) C4'-P energy: -81.759 bonds (distance) P-C4' energy: -86.625 flat angles C4'-P-C4' energy: -104.105 flat angles P-C4'-P energy: -76.078 tors. eta vs tors. theta energy: -157.555 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: 6 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1491.206368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.206368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.206368 (E_RNA) where: Base-Base interactions energy: -1018.414 where: short stacking energy: -415.061 Base-Backbone interact. energy: -0.637 local terms energy: -472.154997 where: bonds (distance) C4'-P energy: -97.968 bonds (distance) P-C4' energy: -79.083 flat angles C4'-P-C4' energy: -98.022 flat angles P-C4'-P energy: -67.816 tors. eta vs tors. theta energy: -129.267 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: 6, replica: 5 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1400.105693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.105693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.105693 (E_RNA) where: Base-Base interactions energy: -955.043 where: short stacking energy: -381.291 Base-Backbone interact. energy: -2.176 local terms energy: -442.886414 where: bonds (distance) C4'-P energy: -89.172 bonds (distance) P-C4' energy: -80.693 flat angles C4'-P-C4' energy: -99.991 flat angles P-C4'-P energy: -66.148 tors. eta vs tors. theta energy: -106.882 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: 4 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1409.007312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.007312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.007312 (E_RNA) where: Base-Base interactions energy: -969.364 where: short stacking energy: -409.521 Base-Backbone interact. energy: -0.995 local terms energy: -438.648112 where: bonds (distance) C4'-P energy: -87.376 bonds (distance) P-C4' energy: -78.074 flat angles C4'-P-C4' energy: -88.121 flat angles P-C4'-P energy: -56.234 tors. eta vs tors. theta energy: -128.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1285.028552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.028552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.028552 (E_RNA) where: Base-Base interactions energy: -874.499 where: short stacking energy: -365.723 Base-Backbone interact. energy: 0.886 local terms energy: -411.415386 where: bonds (distance) C4'-P energy: -83.061 bonds (distance) P-C4' energy: -78.953 flat angles C4'-P-C4' energy: -87.683 flat angles P-C4'-P energy: -60.814 tors. eta vs tors. theta energy: -100.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -1101.134639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.134639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.134639 (E_RNA) where: Base-Base interactions energy: -738.671 where: short stacking energy: -317.501 Base-Backbone interact. energy: 1.443 local terms energy: -363.906549 where: bonds (distance) C4'-P energy: -81.045 bonds (distance) P-C4' energy: -68.207 flat angles C4'-P-C4' energy: -82.286 flat angles P-C4'-P energy: -54.123 tors. eta vs tors. theta energy: -78.246 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: 9 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -825.015333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.015333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.015333 (E_RNA) where: Base-Base interactions energy: -482.396 where: short stacking energy: -236.924 Base-Backbone interact. energy: 0.441 local terms energy: -343.059829 where: bonds (distance) C4'-P energy: -75.664 bonds (distance) P-C4' energy: -101.908 flat angles C4'-P-C4' energy: -71.248 flat angles P-C4'-P energy: -49.011 tors. eta vs tors. theta energy: -45.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1923.149109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.149109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.149109 (E_RNA) where: Base-Base interactions energy: -1368.973 where: short stacking energy: -554.206 Base-Backbone interact. energy: -0.866 local terms energy: -553.310052 where: bonds (distance) C4'-P energy: -96.746 bonds (distance) P-C4' energy: -93.167 flat angles C4'-P-C4' energy: -113.719 flat angles P-C4'-P energy: -75.821 tors. eta vs tors. theta energy: -173.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1800.559570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.559570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.559570 (E_RNA) where: Base-Base interactions energy: -1272.460 where: short stacking energy: -516.425 Base-Backbone interact. energy: -1.153 local terms energy: -526.946076 where: bonds (distance) C4'-P energy: -87.630 bonds (distance) P-C4' energy: -92.784 flat angles C4'-P-C4' energy: -114.510 flat angles P-C4'-P energy: -75.583 tors. eta vs tors. theta energy: -156.439 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: 8 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1738.452384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.452384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.452384 (E_RNA) where: Base-Base interactions energy: -1226.881 where: short stacking energy: -495.369 Base-Backbone interact. energy: -0.496 local terms energy: -511.075652 where: bonds (distance) C4'-P energy: -100.710 bonds (distance) P-C4' energy: -82.469 flat angles C4'-P-C4' energy: -103.660 flat angles P-C4'-P energy: -69.894 tors. eta vs tors. theta energy: -154.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1697.584761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.584761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.584761 (E_RNA) where: Base-Base interactions energy: -1176.391 where: short stacking energy: -497.383 Base-Backbone interact. energy: -1.841 local terms energy: -519.352617 where: bonds (distance) C4'-P energy: -84.023 bonds (distance) P-C4' energy: -96.889 flat angles C4'-P-C4' energy: -109.684 flat angles P-C4'-P energy: -77.478 tors. eta vs tors. theta energy: -151.278 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: 6 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1517.561713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.561713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.561713 (E_RNA) where: Base-Base interactions energy: -1043.459 where: short stacking energy: -444.617 Base-Backbone interact. energy: 0.859 local terms energy: -474.962552 where: bonds (distance) C4'-P energy: -73.750 bonds (distance) P-C4' energy: -104.097 flat angles C4'-P-C4' energy: -102.098 flat angles P-C4'-P energy: -65.645 tors. eta vs tors. theta energy: -129.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1471.917329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.917329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.917329 (E_RNA) where: Base-Base interactions energy: -1008.391 where: short stacking energy: -426.097 Base-Backbone interact. energy: -0.076 local terms energy: -463.450294 where: bonds (distance) C4'-P energy: -84.424 bonds (distance) P-C4' energy: -66.968 flat angles C4'-P-C4' energy: -103.789 flat angles P-C4'-P energy: -73.538 tors. eta vs tors. theta energy: -134.732 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: 425 Temperature: 1.200000 Total energy: -1377.616517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.616517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.616517 (E_RNA) where: Base-Base interactions energy: -952.433 where: short stacking energy: -394.082 Base-Backbone interact. energy: -1.353 local terms energy: -423.829949 where: bonds (distance) C4'-P energy: -78.169 bonds (distance) P-C4' energy: -80.535 flat angles C4'-P-C4' energy: -90.625 flat angles P-C4'-P energy: -70.123 tors. eta vs tors. theta energy: -104.378 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: 1 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1312.215989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.215989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.215989 (E_RNA) where: Base-Base interactions energy: -888.834 where: short stacking energy: -366.911 Base-Backbone interact. energy: -1.099 local terms energy: -422.283113 where: bonds (distance) C4'-P energy: -85.311 bonds (distance) P-C4' energy: -82.632 flat angles C4'-P-C4' energy: -86.995 flat angles P-C4'-P energy: -67.284 tors. eta vs tors. theta energy: -100.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -1136.335002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.335002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.335002 (E_RNA) where: Base-Base interactions energy: -761.441 where: short stacking energy: -313.958 Base-Backbone interact. energy: -1.711 local terms energy: -373.182452 where: bonds (distance) C4'-P energy: -76.934 bonds (distance) P-C4' energy: -74.901 flat angles C4'-P-C4' energy: -90.152 flat angles P-C4'-P energy: -63.636 tors. eta vs tors. theta energy: -67.559 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: 9 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -791.697428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.697428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.697428 (E_RNA) where: Base-Base interactions energy: -486.791 where: short stacking energy: -225.046 Base-Backbone interact. energy: 1.785 local terms energy: -306.691560 where: bonds (distance) C4'-P energy: -63.515 bonds (distance) P-C4' energy: -75.241 flat angles C4'-P-C4' energy: -65.956 flat angles P-C4'-P energy: -56.558 tors. eta vs tors. theta energy: -45.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1843.807230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.807230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.807230 (E_RNA) where: Base-Base interactions energy: -1289.673 where: short stacking energy: -526.751 Base-Backbone interact. energy: -0.828 local terms energy: -553.306551 where: bonds (distance) C4'-P energy: -98.623 bonds (distance) P-C4' energy: -108.231 flat angles C4'-P-C4' energy: -118.098 flat angles P-C4'-P energy: -71.242 tors. eta vs tors. theta energy: -157.113 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: 2 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1893.729341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.729341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.729341 (E_RNA) where: Base-Base interactions energy: -1343.657 where: short stacking energy: -551.494 Base-Backbone interact. energy: -1.231 local terms energy: -548.840898 where: bonds (distance) C4'-P energy: -103.055 bonds (distance) P-C4' energy: -85.383 flat angles C4'-P-C4' energy: -111.191 flat angles P-C4'-P energy: -83.991 tors. eta vs tors. theta energy: -165.221 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: 3, replica: 8 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1758.790806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.790806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.790806 (E_RNA) where: Base-Base interactions energy: -1230.221 where: short stacking energy: -515.579 Base-Backbone interact. energy: 0.216 local terms energy: -528.785314 where: bonds (distance) C4'-P energy: -95.952 bonds (distance) P-C4' energy: -83.580 flat angles C4'-P-C4' energy: -104.097 flat angles P-C4'-P energy: -82.398 tors. eta vs tors. theta energy: -162.759 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: 7 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1661.406720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.406720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.406720 (E_RNA) where: Base-Base interactions energy: -1137.507 where: short stacking energy: -445.046 Base-Backbone interact. energy: -0.057 local terms energy: -523.842251 where: bonds (distance) C4'-P energy: -105.113 bonds (distance) P-C4' energy: -90.922 flat angles C4'-P-C4' energy: -106.911 flat angles P-C4'-P energy: -76.557 tors. eta vs tors. theta energy: -144.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1498.244363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.244363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.244363 (E_RNA) where: Base-Base interactions energy: -1022.634 where: short stacking energy: -445.822 Base-Backbone interact. energy: -0.468 local terms energy: -475.142309 where: bonds (distance) C4'-P energy: -88.185 bonds (distance) P-C4' energy: -91.995 flat angles C4'-P-C4' energy: -97.222 flat angles P-C4'-P energy: -65.197 tors. eta vs tors. theta energy: -132.543 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: 4 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1459.033225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.033225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.033225 (E_RNA) where: Base-Base interactions energy: -1003.634 where: short stacking energy: -413.310 Base-Backbone interact. energy: -0.808 local terms energy: -454.592034 where: bonds (distance) C4'-P energy: -77.065 bonds (distance) P-C4' energy: -91.821 flat angles C4'-P-C4' energy: -98.274 flat angles P-C4'-P energy: -63.277 tors. eta vs tors. theta energy: -124.155 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: 7, replica: 5 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1342.167428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.167428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.167428 (E_RNA) where: Base-Base interactions energy: -927.711 where: short stacking energy: -382.038 Base-Backbone interact. energy: 0.624 local terms energy: -415.080967 where: bonds (distance) C4'-P energy: -82.068 bonds (distance) P-C4' energy: -92.764 flat angles C4'-P-C4' energy: -92.424 flat angles P-C4'-P energy: -45.997 tors. eta vs tors. theta energy: -101.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1333.728056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.728056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.728056 (E_RNA) where: Base-Base interactions energy: -925.209 where: short stacking energy: -382.058 Base-Backbone interact. energy: 0.303 local terms energy: -408.822489 where: bonds (distance) C4'-P energy: -83.477 bonds (distance) P-C4' energy: -69.044 flat angles C4'-P-C4' energy: -89.267 flat angles P-C4'-P energy: -60.183 tors. eta vs tors. theta energy: -106.852 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: 10 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -1138.639065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.639065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.639065 (E_RNA) where: Base-Base interactions energy: -773.575 where: short stacking energy: -330.166 Base-Backbone interact. energy: -1.181 local terms energy: -363.883384 where: bonds (distance) C4'-P energy: -49.046 bonds (distance) P-C4' energy: -68.396 flat angles C4'-P-C4' energy: -94.937 flat angles P-C4'-P energy: -66.180 tors. eta vs tors. theta energy: -85.325 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: 9 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -806.286340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.286340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.286340 (E_RNA) where: Base-Base interactions energy: -495.241 where: short stacking energy: -244.979 Base-Backbone interact. energy: 0.916 local terms energy: -311.960929 where: bonds (distance) C4'-P energy: -75.852 bonds (distance) P-C4' energy: -79.463 flat angles C4'-P-C4' energy: -68.703 flat angles P-C4'-P energy: -42.831 tors. eta vs tors. theta energy: -45.111 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: 427 Temperature: 0.900000 Total energy: -1833.050487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.050487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.050487 (E_RNA) where: Base-Base interactions energy: -1301.510 where: short stacking energy: -525.850 Base-Backbone interact. energy: 1.623 local terms energy: -533.162710 where: bonds (distance) C4'-P energy: -93.526 bonds (distance) P-C4' energy: -86.119 flat angles C4'-P-C4' energy: -113.625 flat angles P-C4'-P energy: -76.038 tors. eta vs tors. theta energy: -163.855 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: 427 Temperature: 0.950000 Total energy: -1872.197185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.197185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.197185 (E_RNA) where: Base-Base interactions energy: -1299.818 where: short stacking energy: -531.746 Base-Backbone interact. energy: 1.092 local terms energy: -573.471393 where: bonds (distance) C4'-P energy: -103.222 bonds (distance) P-C4' energy: -103.444 flat angles C4'-P-C4' energy: -113.810 flat angles P-C4'-P energy: -81.153 tors. eta vs tors. theta energy: -171.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1750.194349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.194349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.194349 (E_RNA) where: Base-Base interactions energy: -1226.704 where: short stacking energy: -483.148 Base-Backbone interact. energy: -0.685 local terms energy: -522.806038 where: bonds (distance) C4'-P energy: -103.575 bonds (distance) P-C4' energy: -92.021 flat angles C4'-P-C4' energy: -109.441 flat angles P-C4'-P energy: -72.286 tors. eta vs tors. theta energy: -145.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1668.637637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.637637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.637637 (E_RNA) where: Base-Base interactions energy: -1162.602 where: short stacking energy: -462.565 Base-Backbone interact. energy: 0.132 local terms energy: -506.168212 where: bonds (distance) C4'-P energy: -98.399 bonds (distance) P-C4' energy: -89.153 flat angles C4'-P-C4' energy: -100.021 flat angles P-C4'-P energy: -72.994 tors. eta vs tors. theta energy: -145.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1500.230191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.230191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.230191 (E_RNA) where: Base-Base interactions energy: -1044.649 where: short stacking energy: -431.002 Base-Backbone interact. energy: -0.182 local terms energy: -455.399812 where: bonds (distance) C4'-P energy: -81.488 bonds (distance) P-C4' energy: -91.943 flat angles C4'-P-C4' energy: -93.832 flat angles P-C4'-P energy: -68.691 tors. eta vs tors. theta energy: -119.446 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: 6, replica: 4 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1496.887618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.887618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.887618 (E_RNA) where: Base-Base interactions energy: -1018.786 where: short stacking energy: -409.339 Base-Backbone interact. energy: -1.411 local terms energy: -476.690881 where: bonds (distance) C4'-P energy: -81.619 bonds (distance) P-C4' energy: -98.116 flat angles C4'-P-C4' energy: -97.168 flat angles P-C4'-P energy: -73.832 tors. eta vs tors. theta energy: -125.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1385.332882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.332882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.332882 (E_RNA) where: Base-Base interactions energy: -946.296 where: short stacking energy: -390.990 Base-Backbone interact. energy: 0.470 local terms energy: -439.506086 where: bonds (distance) C4'-P energy: -78.148 bonds (distance) P-C4' energy: -98.951 flat angles C4'-P-C4' energy: -94.905 flat angles P-C4'-P energy: -70.067 tors. eta vs tors. theta energy: -97.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1311.082845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.082845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.082845 (E_RNA) where: Base-Base interactions energy: -902.969 where: short stacking energy: -373.167 Base-Backbone interact. energy: 5.668 local terms energy: -413.781890 where: bonds (distance) C4'-P energy: -87.572 bonds (distance) P-C4' energy: -78.674 flat angles C4'-P-C4' energy: -85.665 flat angles P-C4'-P energy: -57.367 tors. eta vs tors. theta energy: -104.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -1124.598198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.598198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.598198 (E_RNA) where: Base-Base interactions energy: -747.761 where: short stacking energy: -313.349 Base-Backbone interact. energy: 0.082 local terms energy: -376.919055 where: bonds (distance) C4'-P energy: -71.630 bonds (distance) P-C4' energy: -92.560 flat angles C4'-P-C4' energy: -91.422 flat angles P-C4'-P energy: -40.792 tors. eta vs tors. theta energy: -80.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -827.532553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.532553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.532553 (E_RNA) where: Base-Base interactions energy: -521.288 where: short stacking energy: -226.948 Base-Backbone interact. energy: -0.922 local terms energy: -305.322711 where: bonds (distance) C4'-P energy: -82.589 bonds (distance) P-C4' energy: -81.308 flat angles C4'-P-C4' energy: -68.753 flat angles P-C4'-P energy: -39.827 tors. eta vs tors. theta energy: -32.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1935.289036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.289036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.289036 (E_RNA) where: Base-Base interactions energy: -1361.567 where: short stacking energy: -549.451 Base-Backbone interact. energy: -0.585 local terms energy: -573.137693 where: bonds (distance) C4'-P energy: -99.984 bonds (distance) P-C4' energy: -105.990 flat angles C4'-P-C4' energy: -116.817 flat angles P-C4'-P energy: -81.342 tors. eta vs tors. theta energy: -169.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1829.455156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.455156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.455156 (E_RNA) where: Base-Base interactions energy: -1299.147 where: short stacking energy: -525.327 Base-Backbone interact. energy: 5.271 local terms energy: -535.579559 where: bonds (distance) C4'-P energy: -98.869 bonds (distance) P-C4' energy: -88.375 flat angles C4'-P-C4' energy: -111.547 flat angles P-C4'-P energy: -77.062 tors. eta vs tors. theta energy: -159.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1718.229679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.229679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.229679 (E_RNA) where: Base-Base interactions energy: -1184.760 where: short stacking energy: -483.358 Base-Backbone interact. energy: -0.103 local terms energy: -533.366905 where: bonds (distance) C4'-P energy: -103.632 bonds (distance) P-C4' energy: -96.353 flat angles C4'-P-C4' energy: -107.753 flat angles P-C4'-P energy: -70.167 tors. eta vs tors. theta energy: -155.462 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: 7 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1675.024167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.024167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.024167 (E_RNA) where: Base-Base interactions energy: -1167.545 where: short stacking energy: -491.423 Base-Backbone interact. energy: -0.330 local terms energy: -507.148505 where: bonds (distance) C4'-P energy: -84.167 bonds (distance) P-C4' energy: -100.268 flat angles C4'-P-C4' energy: -99.465 flat angles P-C4'-P energy: -79.965 tors. eta vs tors. theta energy: -143.283 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: 4 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1526.805188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.805188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.805188 (E_RNA) where: Base-Base interactions energy: -1066.610 where: short stacking energy: -451.094 Base-Backbone interact. energy: 0.830 local terms energy: -461.025699 where: bonds (distance) C4'-P energy: -87.298 bonds (distance) P-C4' energy: -82.940 flat angles C4'-P-C4' energy: -99.579 flat angles P-C4'-P energy: -57.363 tors. eta vs tors. theta energy: -133.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1446.056490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.056490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.056490 (E_RNA) where: Base-Base interactions energy: -993.034 where: short stacking energy: -413.825 Base-Backbone interact. energy: -0.164 local terms energy: -452.858381 where: bonds (distance) C4'-P energy: -89.341 bonds (distance) P-C4' energy: -85.051 flat angles C4'-P-C4' energy: -90.413 flat angles P-C4'-P energy: -65.720 tors. eta vs tors. theta energy: -122.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1332.313261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.313261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.313261 (E_RNA) where: Base-Base interactions energy: -931.316 where: short stacking energy: -367.093 Base-Backbone interact. energy: 0.331 local terms energy: -401.327733 where: bonds (distance) C4'-P energy: -65.662 bonds (distance) P-C4' energy: -78.184 flat angles C4'-P-C4' energy: -90.064 flat angles P-C4'-P energy: -55.727 tors. eta vs tors. theta energy: -111.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1315.141571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.141571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.141571 (E_RNA) where: Base-Base interactions energy: -904.776 where: short stacking energy: -395.592 Base-Backbone interact. energy: -0.818 local terms energy: -409.546816 where: bonds (distance) C4'-P energy: -85.398 bonds (distance) P-C4' energy: -63.520 flat angles C4'-P-C4' energy: -92.369 flat angles P-C4'-P energy: -60.708 tors. eta vs tors. theta energy: -107.552 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: 9, replica: 10 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -1150.080260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.080260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.080260 (E_RNA) where: Base-Base interactions energy: -774.915 where: short stacking energy: -322.646 Base-Backbone interact. energy: 2.165 local terms energy: -377.330528 where: bonds (distance) C4'-P energy: -77.466 bonds (distance) P-C4' energy: -90.237 flat angles C4'-P-C4' energy: -86.142 flat angles P-C4'-P energy: -43.990 tors. eta vs tors. theta energy: -79.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -835.543833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.543833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.543833 (E_RNA) where: Base-Base interactions energy: -520.982 where: short stacking energy: -229.889 Base-Backbone interact. energy: -0.496 local terms energy: -314.066079 where: bonds (distance) C4'-P energy: -71.066 bonds (distance) P-C4' energy: -81.370 flat angles C4'-P-C4' energy: -81.449 flat angles P-C4'-P energy: -45.260 tors. eta vs tors. theta energy: -34.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1894.160949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.160949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.160949 (E_RNA) where: Base-Base interactions energy: -1352.564 where: short stacking energy: -539.453 Base-Backbone interact. energy: 0.935 local terms energy: -542.532388 where: bonds (distance) C4'-P energy: -97.930 bonds (distance) P-C4' energy: -95.832 flat angles C4'-P-C4' energy: -102.740 flat angles P-C4'-P energy: -77.782 tors. eta vs tors. theta energy: -168.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1798.102179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.102179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.102179 (E_RNA) where: Base-Base interactions energy: -1272.392 where: short stacking energy: -508.870 Base-Backbone interact. energy: -0.054 local terms energy: -525.656326 where: bonds (distance) C4'-P energy: -84.769 bonds (distance) P-C4' energy: -100.225 flat angles C4'-P-C4' energy: -113.661 flat angles P-C4'-P energy: -72.534 tors. eta vs tors. theta energy: -154.468 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: 8 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1749.202480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.202480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.202480 (E_RNA) where: Base-Base interactions energy: -1226.458 where: short stacking energy: -515.415 Base-Backbone interact. energy: -0.768 local terms energy: -521.976511 where: bonds (distance) C4'-P energy: -90.201 bonds (distance) P-C4' energy: -87.099 flat angles C4'-P-C4' energy: -117.276 flat angles P-C4'-P energy: -71.626 tors. eta vs tors. theta energy: -155.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1655.985651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.985651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.985651 (E_RNA) where: Base-Base interactions energy: -1156.876 where: short stacking energy: -477.657 Base-Backbone interact. energy: -2.764 local terms energy: -496.345604 where: bonds (distance) C4'-P energy: -73.792 bonds (distance) P-C4' energy: -89.851 flat angles C4'-P-C4' energy: -103.375 flat angles P-C4'-P energy: -71.714 tors. eta vs tors. theta energy: -157.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1528.929048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.929048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.929048 (E_RNA) where: Base-Base interactions energy: -1060.104 where: short stacking energy: -437.425 Base-Backbone interact. energy: -1.213 local terms energy: -467.612323 where: bonds (distance) C4'-P energy: -79.409 bonds (distance) P-C4' energy: -78.901 flat angles C4'-P-C4' energy: -100.655 flat angles P-C4'-P energy: -71.045 tors. eta vs tors. theta energy: -137.602 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: 6 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1446.998417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.998417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.998417 (E_RNA) where: Base-Base interactions energy: -992.653 where: short stacking energy: -396.110 Base-Backbone interact. energy: -2.651 local terms energy: -451.694375 where: bonds (distance) C4'-P energy: -74.210 bonds (distance) P-C4' energy: -88.540 flat angles C4'-P-C4' energy: -109.206 flat angles P-C4'-P energy: -60.016 tors. eta vs tors. theta energy: -119.722 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: 429 Temperature: 1.200000 Total energy: -1283.452460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.452460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.452460 (E_RNA) where: Base-Base interactions energy: -868.773 where: short stacking energy: -376.146 Base-Backbone interact. energy: 1.163 local terms energy: -415.842492 where: bonds (distance) C4'-P energy: -80.493 bonds (distance) P-C4' energy: -74.991 flat angles C4'-P-C4' energy: -84.394 flat angles P-C4'-P energy: -64.913 tors. eta vs tors. theta energy: -111.051 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: 1 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1314.629286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.629286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.629286 (E_RNA) where: Base-Base interactions energy: -884.330 where: short stacking energy: -371.185 Base-Backbone interact. energy: -2.012 local terms energy: -428.286695 where: bonds (distance) C4'-P energy: -72.778 bonds (distance) P-C4' energy: -85.356 flat angles C4'-P-C4' energy: -103.161 flat angles P-C4'-P energy: -58.694 tors. eta vs tors. theta energy: -108.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -1186.569034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.569034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.569034 (E_RNA) where: Base-Base interactions energy: -815.448 where: short stacking energy: -339.114 Base-Backbone interact. energy: -2.481 local terms energy: -368.639937 where: bonds (distance) C4'-P energy: -78.043 bonds (distance) P-C4' energy: -65.189 flat angles C4'-P-C4' energy: -82.988 flat angles P-C4'-P energy: -51.640 tors. eta vs tors. theta energy: -90.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -802.856847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.856847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.856847 (E_RNA) where: Base-Base interactions energy: -501.801 where: short stacking energy: -220.013 Base-Backbone interact. energy: 0.253 local terms energy: -301.308963 where: bonds (distance) C4'-P energy: -66.098 bonds (distance) P-C4' energy: -77.332 flat angles C4'-P-C4' energy: -83.377 flat angles P-C4'-P energy: -48.164 tors. eta vs tors. theta energy: -26.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1908.361198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.361198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.361198 (E_RNA) where: Base-Base interactions energy: -1347.537 where: short stacking energy: -543.167 Base-Backbone interact. energy: -0.423 local terms energy: -560.401000 where: bonds (distance) C4'-P energy: -106.232 bonds (distance) P-C4' energy: -105.894 flat angles C4'-P-C4' energy: -101.419 flat angles P-C4'-P energy: -81.448 tors. eta vs tors. theta energy: -165.408 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: 3 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1823.481801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.481801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.481801 (E_RNA) where: Base-Base interactions energy: -1294.112 where: short stacking energy: -531.497 Base-Backbone interact. energy: -0.340 local terms energy: -529.030560 where: bonds (distance) C4'-P energy: -90.649 bonds (distance) P-C4' energy: -90.954 flat angles C4'-P-C4' energy: -105.427 flat angles P-C4'-P energy: -79.932 tors. eta vs tors. theta energy: -162.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1711.128502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.128502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.128502 (E_RNA) where: Base-Base interactions energy: -1195.353 where: short stacking energy: -488.155 Base-Backbone interact. energy: -1.415 local terms energy: -514.360608 where: bonds (distance) C4'-P energy: -90.643 bonds (distance) P-C4' energy: -90.732 flat angles C4'-P-C4' energy: -113.034 flat angles P-C4'-P energy: -71.689 tors. eta vs tors. theta energy: -148.263 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: 7 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1658.142617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.142617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.142617 (E_RNA) where: Base-Base interactions energy: -1153.818 where: short stacking energy: -481.773 Base-Backbone interact. energy: -0.149 local terms energy: -504.175427 where: bonds (distance) C4'-P energy: -87.266 bonds (distance) P-C4' energy: -79.578 flat angles C4'-P-C4' energy: -102.095 flat angles P-C4'-P energy: -80.208 tors. eta vs tors. theta energy: -155.028 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: 5, replica: 4 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1510.898053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.898053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.898053 (E_RNA) where: Base-Base interactions energy: -1057.383 where: short stacking energy: -428.561 Base-Backbone interact. energy: 1.720 local terms energy: -455.235264 where: bonds (distance) C4'-P energy: -79.039 bonds (distance) P-C4' energy: -87.975 flat angles C4'-P-C4' energy: -94.959 flat angles P-C4'-P energy: -69.664 tors. eta vs tors. theta energy: -123.599 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: 6, replica: 6 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1470.751733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.751733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.751733 (E_RNA) where: Base-Base interactions energy: -1016.692 where: short stacking energy: -415.177 Base-Backbone interact. energy: -2.289 local terms energy: -451.770438 where: bonds (distance) C4'-P energy: -91.961 bonds (distance) P-C4' energy: -80.210 flat angles C4'-P-C4' energy: -92.386 flat angles P-C4'-P energy: -68.627 tors. eta vs tors. theta energy: -118.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1288.457266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.457266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.457266 (E_RNA) where: Base-Base interactions energy: -886.346 where: short stacking energy: -368.561 Base-Backbone interact. energy: -0.193 local terms energy: -401.918794 where: bonds (distance) C4'-P energy: -76.958 bonds (distance) P-C4' energy: -78.906 flat angles C4'-P-C4' energy: -95.167 flat angles P-C4'-P energy: -57.149 tors. eta vs tors. theta energy: -93.739 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: 5 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1270.901871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.901871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.901871 (E_RNA) where: Base-Base interactions energy: -876.484 where: short stacking energy: -359.740 Base-Backbone interact. energy: -1.561 local terms energy: -392.857616 where: bonds (distance) C4'-P energy: -61.435 bonds (distance) P-C4' energy: -92.204 flat angles C4'-P-C4' energy: -90.445 flat angles P-C4'-P energy: -52.101 tors. eta vs tors. theta energy: -96.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -1172.102014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.102014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.102014 (E_RNA) where: Base-Base interactions energy: -790.100 where: short stacking energy: -336.593 Base-Backbone interact. energy: 0.112 local terms energy: -382.114131 where: bonds (distance) C4'-P energy: -66.214 bonds (distance) P-C4' energy: -91.190 flat angles C4'-P-C4' energy: -83.107 flat angles P-C4'-P energy: -46.502 tors. eta vs tors. theta energy: -95.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -813.603722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.603722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.603722 (E_RNA) where: Base-Base interactions energy: -510.406 where: short stacking energy: -223.670 Base-Backbone interact. energy: -1.332 local terms energy: -301.866016 where: bonds (distance) C4'-P energy: -73.534 bonds (distance) P-C4' energy: -84.405 flat angles C4'-P-C4' energy: -66.944 flat angles P-C4'-P energy: -52.476 tors. eta vs tors. theta energy: -24.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1925.321137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.321137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.321137 (E_RNA) where: Base-Base interactions energy: -1368.311 where: short stacking energy: -552.762 Base-Backbone interact. energy: -0.446 local terms energy: -556.563842 where: bonds (distance) C4'-P energy: -96.545 bonds (distance) P-C4' energy: -99.054 flat angles C4'-P-C4' energy: -114.730 flat angles P-C4'-P energy: -73.781 tors. eta vs tors. theta energy: -172.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1810.565366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.565366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.565366 (E_RNA) where: Base-Base interactions energy: -1256.407 where: short stacking energy: -504.393 Base-Backbone interact. energy: -0.425 local terms energy: -553.733395 where: bonds (distance) C4'-P energy: -105.335 bonds (distance) P-C4' energy: -104.557 flat angles C4'-P-C4' energy: -110.115 flat angles P-C4'-P energy: -73.309 tors. eta vs tors. theta energy: -160.418 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: 8 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1751.297824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.297824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.297824 (E_RNA) where: Base-Base interactions energy: -1230.021 where: short stacking energy: -501.055 Base-Backbone interact. energy: 1.634 local terms energy: -522.911177 where: bonds (distance) C4'-P energy: -96.932 bonds (distance) P-C4' energy: -87.765 flat angles C4'-P-C4' energy: -112.003 flat angles P-C4'-P energy: -76.391 tors. eta vs tors. theta energy: -149.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1656.762626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.762626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.762626 (E_RNA) where: Base-Base interactions energy: -1160.102 where: short stacking energy: -465.942 Base-Backbone interact. energy: -0.921 local terms energy: -495.739821 where: bonds (distance) C4'-P energy: -81.429 bonds (distance) P-C4' energy: -93.436 flat angles C4'-P-C4' energy: -97.395 flat angles P-C4'-P energy: -76.067 tors. eta vs tors. theta energy: -147.412 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: 5, replica: 4 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1521.837788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.837788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.837788 (E_RNA) where: Base-Base interactions energy: -1042.942 where: short stacking energy: -427.151 Base-Backbone interact. energy: 0.217 local terms energy: -479.112812 where: bonds (distance) C4'-P energy: -82.499 bonds (distance) P-C4' energy: -87.616 flat angles C4'-P-C4' energy: -101.059 flat angles P-C4'-P energy: -64.167 tors. eta vs tors. theta energy: -143.773 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: 6 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1468.246894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.246894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.246894 (E_RNA) where: Base-Base interactions energy: -993.199 where: short stacking energy: -407.866 Base-Backbone interact. energy: -2.505 local terms energy: -472.543047 where: bonds (distance) C4'-P energy: -95.601 bonds (distance) P-C4' energy: -104.116 flat angles C4'-P-C4' energy: -90.791 flat angles P-C4'-P energy: -60.151 tors. eta vs tors. theta energy: -121.884 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: 1 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1295.353144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.353144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.353144 (E_RNA) where: Base-Base interactions energy: -859.416 where: short stacking energy: -372.103 Base-Backbone interact. energy: 0.105 local terms energy: -436.042520 where: bonds (distance) C4'-P energy: -72.983 bonds (distance) P-C4' energy: -101.326 flat angles C4'-P-C4' energy: -101.913 flat angles P-C4'-P energy: -53.271 tors. eta vs tors. theta energy: -106.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1259.421181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.421181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.421181 (E_RNA) where: Base-Base interactions energy: -841.024 where: short stacking energy: -357.866 Base-Backbone interact. energy: -2.334 local terms energy: -416.062450 where: bonds (distance) C4'-P energy: -83.639 bonds (distance) P-C4' energy: -86.190 flat angles C4'-P-C4' energy: -97.058 flat angles P-C4'-P energy: -60.418 tors. eta vs tors. theta energy: -88.757 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: 10 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -1135.271661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.271661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.271661 (E_RNA) where: Base-Base interactions energy: -756.135 where: short stacking energy: -312.053 Base-Backbone interact. energy: 0.231 local terms energy: -379.367982 where: bonds (distance) C4'-P energy: -74.056 bonds (distance) P-C4' energy: -73.324 flat angles C4'-P-C4' energy: -88.203 flat angles P-C4'-P energy: -66.182 tors. eta vs tors. theta energy: -77.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -812.637656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.637656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.637656 (E_RNA) where: Base-Base interactions energy: -521.242 where: short stacking energy: -201.578 Base-Backbone interact. energy: -1.386 local terms energy: -290.010001 where: bonds (distance) C4'-P energy: -71.920 bonds (distance) P-C4' energy: -90.287 flat angles C4'-P-C4' energy: -63.307 flat angles P-C4'-P energy: -37.122 tors. eta vs tors. theta energy: -27.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1893.487913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.487913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.487913 (E_RNA) where: Base-Base interactions energy: -1339.640 where: short stacking energy: -545.894 Base-Backbone interact. energy: -1.834 local terms energy: -552.013922 where: bonds (distance) C4'-P energy: -95.044 bonds (distance) P-C4' energy: -87.581 flat angles C4'-P-C4' energy: -106.939 flat angles P-C4'-P energy: -85.752 tors. eta vs tors. theta energy: -176.698 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: 3 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1790.033536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.033536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.033536 (E_RNA) where: Base-Base interactions energy: -1255.678 where: short stacking energy: -495.331 Base-Backbone interact. energy: -0.273 local terms energy: -534.082053 where: bonds (distance) C4'-P energy: -97.933 bonds (distance) P-C4' energy: -100.164 flat angles C4'-P-C4' energy: -105.137 flat angles P-C4'-P energy: -79.362 tors. eta vs tors. theta energy: -151.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1778.721651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.721651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.721651 (E_RNA) where: Base-Base interactions energy: -1255.140 where: short stacking energy: -519.906 Base-Backbone interact. energy: 0.239 local terms energy: -523.821288 where: bonds (distance) C4'-P energy: -85.149 bonds (distance) P-C4' energy: -98.677 flat angles C4'-P-C4' energy: -102.288 flat angles P-C4'-P energy: -80.551 tors. eta vs tors. theta energy: -157.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1632.878478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.878478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.878478 (E_RNA) where: Base-Base interactions energy: -1140.515 where: short stacking energy: -471.695 Base-Backbone interact. energy: -2.012 local terms energy: -490.352329 where: bonds (distance) C4'-P energy: -82.258 bonds (distance) P-C4' energy: -90.245 flat angles C4'-P-C4' energy: -97.623 flat angles P-C4'-P energy: -77.695 tors. eta vs tors. theta energy: -142.532 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: 4 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1559.931682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.931682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.931682 (E_RNA) where: Base-Base interactions energy: -1077.067 where: short stacking energy: -455.294 Base-Backbone interact. energy: -0.848 local terms energy: -482.016423 where: bonds (distance) C4'-P energy: -81.380 bonds (distance) P-C4' energy: -93.050 flat angles C4'-P-C4' energy: -92.900 flat angles P-C4'-P energy: -70.370 tors. eta vs tors. theta energy: -144.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1480.921353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.921353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.921353 (E_RNA) where: Base-Base interactions energy: -999.965 where: short stacking energy: -402.963 Base-Backbone interact. energy: -1.172 local terms energy: -479.783870 where: bonds (distance) C4'-P energy: -99.579 bonds (distance) P-C4' energy: -86.779 flat angles C4'-P-C4' energy: -104.025 flat angles P-C4'-P energy: -60.574 tors. eta vs tors. theta energy: -128.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1341.472118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.472118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.472118 (E_RNA) where: Base-Base interactions energy: -899.511 where: short stacking energy: -369.962 Base-Backbone interact. energy: 0.380 local terms energy: -442.340724 where: bonds (distance) C4'-P energy: -79.322 bonds (distance) P-C4' energy: -96.232 flat angles C4'-P-C4' energy: -93.845 flat angles P-C4'-P energy: -71.956 tors. eta vs tors. theta energy: -100.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1269.189886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.189886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.189886 (E_RNA) where: Base-Base interactions energy: -837.222 where: short stacking energy: -350.597 Base-Backbone interact. energy: -1.218 local terms energy: -430.749463 where: bonds (distance) C4'-P energy: -72.686 bonds (distance) P-C4' energy: -85.486 flat angles C4'-P-C4' energy: -107.130 flat angles P-C4'-P energy: -55.849 tors. eta vs tors. theta energy: -109.599 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: 10 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -1132.124233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.124233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.124233 (E_RNA) where: Base-Base interactions energy: -769.544 where: short stacking energy: -327.260 Base-Backbone interact. energy: 0.829 local terms energy: -363.409752 where: bonds (distance) C4'-P energy: -74.042 bonds (distance) P-C4' energy: -83.201 flat angles C4'-P-C4' energy: -83.457 flat angles P-C4'-P energy: -44.536 tors. eta vs tors. theta energy: -78.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -815.618562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.618562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.618562 (E_RNA) where: Base-Base interactions energy: -491.386 where: short stacking energy: -208.258 Base-Backbone interact. energy: 0.112 local terms energy: -324.345312 where: bonds (distance) C4'-P energy: -71.106 bonds (distance) P-C4' energy: -78.752 flat angles C4'-P-C4' energy: -77.474 flat angles P-C4'-P energy: -64.790 tors. eta vs tors. theta energy: -32.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1908.226214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.226214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.226214 (E_RNA) where: Base-Base interactions energy: -1338.446 where: short stacking energy: -532.469 Base-Backbone interact. energy: -0.816 local terms energy: -568.963626 where: bonds (distance) C4'-P energy: -97.776 bonds (distance) P-C4' energy: -99.346 flat angles C4'-P-C4' energy: -117.020 flat angles P-C4'-P energy: -83.465 tors. eta vs tors. theta energy: -171.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1780.099276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.099276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.099276 (E_RNA) where: Base-Base interactions energy: -1249.580 where: short stacking energy: -504.988 Base-Backbone interact. energy: 1.085 local terms energy: -531.603706 where: bonds (distance) C4'-P energy: -95.979 bonds (distance) P-C4' energy: -105.234 flat angles C4'-P-C4' energy: -104.393 flat angles P-C4'-P energy: -77.334 tors. eta vs tors. theta energy: -148.663 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: 8 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1756.907401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.907401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.907401 (E_RNA) where: Base-Base interactions energy: -1221.330 where: short stacking energy: -494.319 Base-Backbone interact. energy: 0.890 local terms energy: -536.467259 where: bonds (distance) C4'-P energy: -93.691 bonds (distance) P-C4' energy: -98.450 flat angles C4'-P-C4' energy: -109.089 flat angles P-C4'-P energy: -77.353 tors. eta vs tors. theta energy: -157.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1646.004521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.004521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.004521 (E_RNA) where: Base-Base interactions energy: -1152.787 where: short stacking energy: -462.581 Base-Backbone interact. energy: -0.640 local terms energy: -492.577647 where: bonds (distance) C4'-P energy: -85.060 bonds (distance) P-C4' energy: -92.782 flat angles C4'-P-C4' energy: -107.196 flat angles P-C4'-P energy: -59.555 tors. eta vs tors. theta energy: -147.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1523.167192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.167192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.167192 (E_RNA) where: Base-Base interactions energy: -1055.570 where: short stacking energy: -441.513 Base-Backbone interact. energy: -2.856 local terms energy: -464.741422 where: bonds (distance) C4'-P energy: -84.247 bonds (distance) P-C4' energy: -84.635 flat angles C4'-P-C4' energy: -94.841 flat angles P-C4'-P energy: -61.808 tors. eta vs tors. theta energy: -139.209 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: 6, replica: 6 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1504.203521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.203521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.203521 (E_RNA) where: Base-Base interactions energy: -1034.334 where: short stacking energy: -436.326 Base-Backbone interact. energy: -2.385 local terms energy: -467.483903 where: bonds (distance) C4'-P energy: -85.267 bonds (distance) P-C4' energy: -91.780 flat angles C4'-P-C4' energy: -92.463 flat angles P-C4'-P energy: -73.195 tors. eta vs tors. theta energy: -124.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1329.303005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.303005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.303005 (E_RNA) where: Base-Base interactions energy: -901.069 where: short stacking energy: -376.656 Base-Backbone interact. energy: -0.205 local terms energy: -428.028846 where: bonds (distance) C4'-P energy: -85.167 bonds (distance) P-C4' energy: -88.324 flat angles C4'-P-C4' energy: -93.368 flat angles P-C4'-P energy: -59.034 tors. eta vs tors. theta energy: -102.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1254.771809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.771809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.771809 (E_RNA) where: Base-Base interactions energy: -866.861 where: short stacking energy: -368.161 Base-Backbone interact. energy: -1.984 local terms energy: -385.926473 where: bonds (distance) C4'-P energy: -58.603 bonds (distance) P-C4' energy: -81.039 flat angles C4'-P-C4' energy: -87.638 flat angles P-C4'-P energy: -60.222 tors. eta vs tors. theta energy: -98.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -1136.085847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.085847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.085847 (E_RNA) where: Base-Base interactions energy: -760.453 where: short stacking energy: -304.604 Base-Backbone interact. energy: -0.135 local terms energy: -375.498443 where: bonds (distance) C4'-P energy: -73.507 bonds (distance) P-C4' energy: -83.647 flat angles C4'-P-C4' energy: -77.023 flat angles P-C4'-P energy: -60.684 tors. eta vs tors. theta energy: -80.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -811.842931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.842931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.842931 (E_RNA) where: Base-Base interactions energy: -479.684 where: short stacking energy: -229.281 Base-Backbone interact. energy: -1.068 local terms energy: -331.091269 where: bonds (distance) C4'-P energy: -81.120 bonds (distance) P-C4' energy: -77.045 flat angles C4'-P-C4' energy: -68.688 flat angles P-C4'-P energy: -55.597 tors. eta vs tors. theta energy: -48.641 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: 2 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1920.871412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.871412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.871412 (E_RNA) where: Base-Base interactions energy: -1379.516 where: short stacking energy: -564.154 Base-Backbone interact. energy: 0.902 local terms energy: -542.257484 where: bonds (distance) C4'-P energy: -95.110 bonds (distance) P-C4' energy: -90.472 flat angles C4'-P-C4' energy: -110.429 flat angles P-C4'-P energy: -71.966 tors. eta vs tors. theta energy: -174.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1799.839149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.839149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.839149 (E_RNA) where: Base-Base interactions energy: -1275.776 where: short stacking energy: -514.474 Base-Backbone interact. energy: -1.446 local terms energy: -522.617765 where: bonds (distance) C4'-P energy: -86.079 bonds (distance) P-C4' energy: -92.107 flat angles C4'-P-C4' energy: -106.358 flat angles P-C4'-P energy: -75.690 tors. eta vs tors. theta energy: -162.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1772.002175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.002175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.002175 (E_RNA) where: Base-Base interactions energy: -1228.914 where: short stacking energy: -515.576 Base-Backbone interact. energy: -0.745 local terms energy: -542.342946 where: bonds (distance) C4'-P energy: -96.405 bonds (distance) P-C4' energy: -96.828 flat angles C4'-P-C4' energy: -115.764 flat angles P-C4'-P energy: -77.240 tors. eta vs tors. theta energy: -156.106 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: 4, replica: 7 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1639.775672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.775672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.775672 (E_RNA) where: Base-Base interactions energy: -1146.936 where: short stacking energy: -471.090 Base-Backbone interact. energy: -2.261 local terms energy: -490.578436 where: bonds (distance) C4'-P energy: -91.409 bonds (distance) P-C4' energy: -83.931 flat angles C4'-P-C4' energy: -96.976 flat angles P-C4'-P energy: -74.794 tors. eta vs tors. theta energy: -143.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1555.988161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.988161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.988161 (E_RNA) where: Base-Base interactions energy: -1102.066 where: short stacking energy: -446.746 Base-Backbone interact. energy: -1.454 local terms energy: -452.468328 where: bonds (distance) C4'-P energy: -71.706 bonds (distance) P-C4' energy: -87.319 flat angles C4'-P-C4' energy: -105.305 flat angles P-C4'-P energy: -64.410 tors. eta vs tors. theta energy: -123.729 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: 6, replica: 4 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1508.240701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.240701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.240701 (E_RNA) where: Base-Base interactions energy: -1062.860 where: short stacking energy: -448.161 Base-Backbone interact. energy: -0.962 local terms energy: -444.418196 where: bonds (distance) C4'-P energy: -76.941 bonds (distance) P-C4' energy: -65.628 flat angles C4'-P-C4' energy: -101.851 flat angles P-C4'-P energy: -63.362 tors. eta vs tors. theta energy: -136.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1303.551310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.551310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.551310 (E_RNA) where: Base-Base interactions energy: -898.013 where: short stacking energy: -379.419 Base-Backbone interact. energy: 2.432 local terms energy: -407.969733 where: bonds (distance) C4'-P energy: -77.363 bonds (distance) P-C4' energy: -84.677 flat angles C4'-P-C4' energy: -89.230 flat angles P-C4'-P energy: -56.385 tors. eta vs tors. theta energy: -100.314 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: 434 Temperature: 1.250000 Total energy: -1306.211570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.211570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.211570 (E_RNA) where: Base-Base interactions energy: -869.222 where: short stacking energy: -354.321 Base-Backbone interact. energy: 0.489 local terms energy: -437.479333 where: bonds (distance) C4'-P energy: -90.634 bonds (distance) P-C4' energy: -97.838 flat angles C4'-P-C4' energy: -97.137 flat angles P-C4'-P energy: -52.958 tors. eta vs tors. theta energy: -98.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -1130.730247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.730247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.730247 (E_RNA) where: Base-Base interactions energy: -767.824 where: short stacking energy: -318.689 Base-Backbone interact. energy: -2.877 local terms energy: -360.028478 where: bonds (distance) C4'-P energy: -72.119 bonds (distance) P-C4' energy: -83.613 flat angles C4'-P-C4' energy: -76.902 flat angles P-C4'-P energy: -52.867 tors. eta vs tors. theta energy: -74.527 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: 9 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -772.987530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.987530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.987530 (E_RNA) where: Base-Base interactions energy: -460.646 where: short stacking energy: -222.552 Base-Backbone interact. energy: 2.899 local terms energy: -315.239998 where: bonds (distance) C4'-P energy: -81.967 bonds (distance) P-C4' energy: -75.727 flat angles C4'-P-C4' energy: -80.592 flat angles P-C4'-P energy: -39.526 tors. eta vs tors. theta energy: -37.429 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: 2 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1919.961145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.961145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.961145 (E_RNA) where: Base-Base interactions energy: -1378.689 where: short stacking energy: -570.558 Base-Backbone interact. energy: -0.868 local terms energy: -540.403360 where: bonds (distance) C4'-P energy: -87.500 bonds (distance) P-C4' energy: -83.124 flat angles C4'-P-C4' energy: -114.589 flat angles P-C4'-P energy: -77.285 tors. eta vs tors. theta energy: -177.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1811.763371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.763371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.763371 (E_RNA) where: Base-Base interactions energy: -1279.545 where: short stacking energy: -513.954 Base-Backbone interact. energy: 2.616 local terms energy: -534.834944 where: bonds (distance) C4'-P energy: -93.866 bonds (distance) P-C4' energy: -94.525 flat angles C4'-P-C4' energy: -109.376 flat angles P-C4'-P energy: -75.834 tors. eta vs tors. theta energy: -161.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1762.101384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.101384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.101384 (E_RNA) where: Base-Base interactions energy: -1232.430 where: short stacking energy: -487.653 Base-Backbone interact. energy: -1.668 local terms energy: -528.003597 where: bonds (distance) C4'-P energy: -93.718 bonds (distance) P-C4' energy: -91.306 flat angles C4'-P-C4' energy: -110.902 flat angles P-C4'-P energy: -78.243 tors. eta vs tors. theta energy: -153.834 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: 7 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1635.320140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.320140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.320140 (E_RNA) where: Base-Base interactions energy: -1157.027 where: short stacking energy: -459.451 Base-Backbone interact. energy: 1.904 local terms energy: -480.197316 where: bonds (distance) C4'-P energy: -80.352 bonds (distance) P-C4' energy: -91.775 flat angles C4'-P-C4' energy: -98.830 flat angles P-C4'-P energy: -65.815 tors. eta vs tors. theta energy: -143.425 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: 5, replica: 6 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1515.494796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.494796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.494796 (E_RNA) where: Base-Base interactions energy: -1054.885 where: short stacking energy: -411.223 Base-Backbone interact. energy: -1.320 local terms energy: -459.290512 where: bonds (distance) C4'-P energy: -89.473 bonds (distance) P-C4' energy: -83.022 flat angles C4'-P-C4' energy: -87.642 flat angles P-C4'-P energy: -77.497 tors. eta vs tors. theta energy: -121.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1494.930020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.930020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.930020 (E_RNA) where: Base-Base interactions energy: -1067.759 where: short stacking energy: -434.301 Base-Backbone interact. energy: -1.123 local terms energy: -426.048000 where: bonds (distance) C4'-P energy: -82.000 bonds (distance) P-C4' energy: -84.695 flat angles C4'-P-C4' energy: -81.124 flat angles P-C4'-P energy: -51.491 tors. eta vs tors. theta energy: -126.737 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: 1 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1315.450601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.450601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.450601 (E_RNA) where: Base-Base interactions energy: -913.835 where: short stacking energy: -382.507 Base-Backbone interact. energy: 1.338 local terms energy: -402.953569 where: bonds (distance) C4'-P energy: -72.226 bonds (distance) P-C4' energy: -76.385 flat angles C4'-P-C4' energy: -88.846 flat angles P-C4'-P energy: -56.196 tors. eta vs tors. theta energy: -109.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1296.172834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.172834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.172834 (E_RNA) where: Base-Base interactions energy: -909.532 where: short stacking energy: -384.633 Base-Backbone interact. energy: 1.089 local terms energy: -387.729680 where: bonds (distance) C4'-P energy: -82.063 bonds (distance) P-C4' energy: -73.529 flat angles C4'-P-C4' energy: -89.147 flat angles P-C4'-P energy: -52.412 tors. eta vs tors. theta energy: -90.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -1065.476222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.476222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.476222 (E_RNA) where: Base-Base interactions energy: -718.000 where: short stacking energy: -289.248 Base-Backbone interact. energy: -0.148 local terms energy: -347.327643 where: bonds (distance) C4'-P energy: -78.735 bonds (distance) P-C4' energy: -60.263 flat angles C4'-P-C4' energy: -83.328 flat angles P-C4'-P energy: -61.483 tors. eta vs tors. theta energy: -63.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -776.441485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.441485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.441485 (E_RNA) where: Base-Base interactions energy: -460.838 where: short stacking energy: -198.349 Base-Backbone interact. energy: -0.336 local terms energy: -315.267923 where: bonds (distance) C4'-P energy: -78.415 bonds (distance) P-C4' energy: -83.419 flat angles C4'-P-C4' energy: -75.051 flat angles P-C4'-P energy: -51.801 tors. eta vs tors. theta energy: -26.582 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: 2 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1921.205576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.205576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.205576 (E_RNA) where: Base-Base interactions energy: -1356.333 where: short stacking energy: -552.613 Base-Backbone interact. energy: 1.364 local terms energy: -566.236175 where: bonds (distance) C4'-P energy: -95.381 bonds (distance) P-C4' energy: -98.723 flat angles C4'-P-C4' energy: -116.117 flat angles P-C4'-P energy: -86.988 tors. eta vs tors. theta energy: -169.027 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: 2, replica: 3 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1796.400299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.400299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.400299 (E_RNA) where: Base-Base interactions energy: -1260.097 where: short stacking energy: -511.104 Base-Backbone interact. energy: -0.915 local terms energy: -535.387771 where: bonds (distance) C4'-P energy: -95.992 bonds (distance) P-C4' energy: -103.397 flat angles C4'-P-C4' energy: -115.348 flat angles P-C4'-P energy: -66.621 tors. eta vs tors. theta energy: -154.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1761.473717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.473717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.473717 (E_RNA) where: Base-Base interactions energy: -1222.751 where: short stacking energy: -511.057 Base-Backbone interact. energy: -1.488 local terms energy: -537.234546 where: bonds (distance) C4'-P energy: -99.016 bonds (distance) P-C4' energy: -86.873 flat angles C4'-P-C4' energy: -110.835 flat angles P-C4'-P energy: -77.273 tors. eta vs tors. theta energy: -163.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1648.535719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.535719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.535719 (E_RNA) where: Base-Base interactions energy: -1156.822 where: short stacking energy: -460.936 Base-Backbone interact. energy: -2.836 local terms energy: -488.877558 where: bonds (distance) C4'-P energy: -83.454 bonds (distance) P-C4' energy: -87.558 flat angles C4'-P-C4' energy: -105.942 flat angles P-C4'-P energy: -66.395 tors. eta vs tors. theta energy: -145.529 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: 6 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1513.908208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.908208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.908208 (E_RNA) where: Base-Base interactions energy: -1057.871 where: short stacking energy: -412.913 Base-Backbone interact. energy: -1.986 local terms energy: -454.050597 where: bonds (distance) C4'-P energy: -69.732 bonds (distance) P-C4' energy: -89.860 flat angles C4'-P-C4' energy: -90.015 flat angles P-C4'-P energy: -80.375 tors. eta vs tors. theta energy: -124.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1490.247658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.247658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.247658 (E_RNA) where: Base-Base interactions energy: -1017.883 where: short stacking energy: -419.939 Base-Backbone interact. energy: -0.783 local terms energy: -471.581252 where: bonds (distance) C4'-P energy: -88.090 bonds (distance) P-C4' energy: -89.740 flat angles C4'-P-C4' energy: -97.979 flat angles P-C4'-P energy: -67.541 tors. eta vs tors. theta energy: -128.232 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: 1 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1292.099858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.099858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.099858 (E_RNA) where: Base-Base interactions energy: -877.589 where: short stacking energy: -364.531 Base-Backbone interact. energy: -0.526 local terms energy: -413.984497 where: bonds (distance) C4'-P energy: -87.229 bonds (distance) P-C4' energy: -69.387 flat angles C4'-P-C4' energy: -93.628 flat angles P-C4'-P energy: -63.443 tors. eta vs tors. theta energy: -100.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1258.481964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.481964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.481964 (E_RNA) where: Base-Base interactions energy: -879.745 where: short stacking energy: -373.537 Base-Backbone interact. energy: 1.743 local terms energy: -380.479420 where: bonds (distance) C4'-P energy: -62.736 bonds (distance) P-C4' energy: -78.146 flat angles C4'-P-C4' energy: -91.429 flat angles P-C4'-P energy: -56.001 tors. eta vs tors. theta energy: -92.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -1089.972588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.972588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.972588 (E_RNA) where: Base-Base interactions energy: -724.252 where: short stacking energy: -317.462 Base-Backbone interact. energy: -1.786 local terms energy: -363.934367 where: bonds (distance) C4'-P energy: -83.123 bonds (distance) P-C4' energy: -88.674 flat angles C4'-P-C4' energy: -69.614 flat angles P-C4'-P energy: -48.195 tors. eta vs tors. theta energy: -74.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -748.429594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.429594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.429594 (E_RNA) where: Base-Base interactions energy: -441.400 where: short stacking energy: -221.423 Base-Backbone interact. energy: -2.241 local terms energy: -304.789090 where: bonds (distance) C4'-P energy: -78.746 bonds (distance) P-C4' energy: -73.966 flat angles C4'-P-C4' energy: -68.658 flat angles P-C4'-P energy: -60.208 tors. eta vs tors. theta energy: -23.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1907.949159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.949159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.949159 (E_RNA) where: Base-Base interactions energy: -1347.474 where: short stacking energy: -550.901 Base-Backbone interact. energy: -0.874 local terms energy: -559.600846 where: bonds (distance) C4'-P energy: -88.024 bonds (distance) P-C4' energy: -103.207 flat angles C4'-P-C4' energy: -117.289 flat angles P-C4'-P energy: -79.134 tors. eta vs tors. theta energy: -171.947 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: 3 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1819.913855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.913855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.913855 (E_RNA) where: Base-Base interactions energy: -1266.008 where: short stacking energy: -513.766 Base-Backbone interact. energy: -1.172 local terms energy: -552.733862 where: bonds (distance) C4'-P energy: -99.491 bonds (distance) P-C4' energy: -95.783 flat angles C4'-P-C4' energy: -116.106 flat angles P-C4'-P energy: -78.013 tors. eta vs tors. theta energy: -163.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1765.485586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.485586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.485586 (E_RNA) where: Base-Base interactions energy: -1230.206 where: short stacking energy: -501.132 Base-Backbone interact. energy: -0.142 local terms energy: -535.137247 where: bonds (distance) C4'-P energy: -91.579 bonds (distance) P-C4' energy: -96.628 flat angles C4'-P-C4' energy: -113.561 flat angles P-C4'-P energy: -76.596 tors. eta vs tors. theta energy: -156.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1707.775153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.775153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.775153 (E_RNA) where: Base-Base interactions energy: -1185.334 where: short stacking energy: -472.377 Base-Backbone interact. energy: 0.060 local terms energy: -522.500278 where: bonds (distance) C4'-P energy: -98.163 bonds (distance) P-C4' energy: -84.427 flat angles C4'-P-C4' energy: -106.836 flat angles P-C4'-P energy: -79.105 tors. eta vs tors. theta energy: -153.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1535.543575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.543575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.543575 (E_RNA) where: Base-Base interactions energy: -1060.662 where: short stacking energy: -416.451 Base-Backbone interact. energy: 2.017 local terms energy: -476.897797 where: bonds (distance) C4'-P energy: -93.999 bonds (distance) P-C4' energy: -90.745 flat angles C4'-P-C4' energy: -98.957 flat angles P-C4'-P energy: -72.062 tors. eta vs tors. theta energy: -121.134 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: 4 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1501.260481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.260481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.260481 (E_RNA) where: Base-Base interactions energy: -1038.049 where: short stacking energy: -422.391 Base-Backbone interact. energy: 1.257 local terms energy: -464.467849 where: bonds (distance) C4'-P energy: -78.369 bonds (distance) P-C4' energy: -85.776 flat angles C4'-P-C4' energy: -93.589 flat angles P-C4'-P energy: -71.090 tors. eta vs tors. theta energy: -135.644 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: 1 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1347.894098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.894098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.894098 (E_RNA) where: Base-Base interactions energy: -890.241 where: short stacking energy: -361.191 Base-Backbone interact. energy: -0.176 local terms energy: -457.476651 where: bonds (distance) C4'-P energy: -88.676 bonds (distance) P-C4' energy: -79.466 flat angles C4'-P-C4' energy: -107.102 flat angles P-C4'-P energy: -73.378 tors. eta vs tors. theta energy: -108.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1286.281657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.281657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.281657 (E_RNA) where: Base-Base interactions energy: -889.392 where: short stacking energy: -377.800 Base-Backbone interact. energy: -0.623 local terms energy: -396.266055 where: bonds (distance) C4'-P energy: -83.495 bonds (distance) P-C4' energy: -86.920 flat angles C4'-P-C4' energy: -82.211 flat angles P-C4'-P energy: -50.907 tors. eta vs tors. theta energy: -92.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1066.998124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.998124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.998124 (E_RNA) where: Base-Base interactions energy: -706.459 where: short stacking energy: -290.729 Base-Backbone interact. energy: -0.157 local terms energy: -360.381576 where: bonds (distance) C4'-P energy: -75.252 bonds (distance) P-C4' energy: -81.593 flat angles C4'-P-C4' energy: -86.358 flat angles P-C4'-P energy: -48.711 tors. eta vs tors. theta energy: -68.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -744.037455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.037455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.037455 (E_RNA) where: Base-Base interactions energy: -450.904 where: short stacking energy: -219.840 Base-Backbone interact. energy: 0.257 local terms energy: -293.391156 where: bonds (distance) C4'-P energy: -65.733 bonds (distance) P-C4' energy: -89.552 flat angles C4'-P-C4' energy: -74.700 flat angles P-C4'-P energy: -26.803 tors. eta vs tors. theta energy: -36.602 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: 2 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1910.711037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.711037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.711037 (E_RNA) where: Base-Base interactions energy: -1345.705 where: short stacking energy: -558.331 Base-Backbone interact. energy: -1.782 local terms energy: -563.224272 where: bonds (distance) C4'-P energy: -99.549 bonds (distance) P-C4' energy: -94.107 flat angles C4'-P-C4' energy: -114.382 flat angles P-C4'-P energy: -86.892 tors. eta vs tors. theta energy: -168.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1801.863312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.863312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.863312 (E_RNA) where: Base-Base interactions energy: -1269.886 where: short stacking energy: -526.841 Base-Backbone interact. energy: -0.717 local terms energy: -531.260557 where: bonds (distance) C4'-P energy: -92.567 bonds (distance) P-C4' energy: -86.456 flat angles C4'-P-C4' energy: -112.970 flat angles P-C4'-P energy: -79.196 tors. eta vs tors. theta energy: -160.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1750.247566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.247566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.247566 (E_RNA) where: Base-Base interactions energy: -1238.252 where: short stacking energy: -492.127 Base-Backbone interact. energy: 0.059 local terms energy: -512.054800 where: bonds (distance) C4'-P energy: -85.893 bonds (distance) P-C4' energy: -84.430 flat angles C4'-P-C4' energy: -96.432 flat angles P-C4'-P energy: -80.751 tors. eta vs tors. theta energy: -164.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1702.983034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.983034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.983034 (E_RNA) where: Base-Base interactions energy: -1208.083 where: short stacking energy: -508.152 Base-Backbone interact. energy: -2.201 local terms energy: -492.699894 where: bonds (distance) C4'-P energy: -85.157 bonds (distance) P-C4' energy: -91.123 flat angles C4'-P-C4' energy: -92.500 flat angles P-C4'-P energy: -66.316 tors. eta vs tors. theta energy: -157.605 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: 438 Temperature: 1.100000 Total energy: -1561.840048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.840048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.840048 (E_RNA) where: Base-Base interactions energy: -1082.529 where: short stacking energy: -432.840 Base-Backbone interact. energy: -2.906 local terms energy: -476.404356 where: bonds (distance) C4'-P energy: -74.129 bonds (distance) P-C4' energy: -81.299 flat angles C4'-P-C4' energy: -111.806 flat angles P-C4'-P energy: -72.744 tors. eta vs tors. theta energy: -136.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1481.892100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.892100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.892100 (E_RNA) where: Base-Base interactions energy: -1027.279 where: short stacking energy: -426.998 Base-Backbone interact. energy: 4.321 local terms energy: -458.934356 where: bonds (distance) C4'-P energy: -86.312 bonds (distance) P-C4' energy: -83.576 flat angles C4'-P-C4' energy: -95.813 flat angles P-C4'-P energy: -60.277 tors. eta vs tors. theta energy: -132.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1349.494783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.494783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.494783 (E_RNA) where: Base-Base interactions energy: -920.012 where: short stacking energy: -390.272 Base-Backbone interact. energy: -1.660 local terms energy: -427.822984 where: bonds (distance) C4'-P energy: -68.222 bonds (distance) P-C4' energy: -77.217 flat angles C4'-P-C4' energy: -103.111 flat angles P-C4'-P energy: -69.602 tors. eta vs tors. theta energy: -109.671 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: 8, replica: 5 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1290.210785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.210785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.210785 (E_RNA) where: Base-Base interactions energy: -876.505 where: short stacking energy: -366.076 Base-Backbone interact. energy: -2.340 local terms energy: -411.365510 where: bonds (distance) C4'-P energy: -90.973 bonds (distance) P-C4' energy: -62.988 flat angles C4'-P-C4' energy: -88.140 flat angles P-C4'-P energy: -67.333 tors. eta vs tors. theta energy: -101.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -1080.626974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.626974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.626974 (E_RNA) where: Base-Base interactions energy: -716.192 where: short stacking energy: -307.060 Base-Backbone interact. energy: -0.154 local terms energy: -364.280968 where: bonds (distance) C4'-P energy: -81.649 bonds (distance) P-C4' energy: -89.517 flat angles C4'-P-C4' energy: -76.332 flat angles P-C4'-P energy: -49.139 tors. eta vs tors. theta energy: -67.644 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: 9 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -755.526068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.526068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.526068 (E_RNA) where: Base-Base interactions energy: -456.025 where: short stacking energy: -197.936 Base-Backbone interact. energy: -2.022 local terms energy: -297.479177 where: bonds (distance) C4'-P energy: -86.023 bonds (distance) P-C4' energy: -70.512 flat angles C4'-P-C4' energy: -81.442 flat angles P-C4'-P energy: -32.213 tors. eta vs tors. theta energy: -27.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1913.182914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.182914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.182914 (E_RNA) where: Base-Base interactions energy: -1352.766 where: short stacking energy: -551.201 Base-Backbone interact. energy: -0.909 local terms energy: -559.507934 where: bonds (distance) C4'-P energy: -101.481 bonds (distance) P-C4' energy: -95.256 flat angles C4'-P-C4' energy: -106.498 flat angles P-C4'-P energy: -87.051 tors. eta vs tors. theta energy: -169.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1807.589695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.589695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.589695 (E_RNA) where: Base-Base interactions energy: -1252.720 where: short stacking energy: -506.476 Base-Backbone interact. energy: -2.118 local terms energy: -552.751789 where: bonds (distance) C4'-P energy: -102.127 bonds (distance) P-C4' energy: -102.345 flat angles C4'-P-C4' energy: -111.471 flat angles P-C4'-P energy: -81.726 tors. eta vs tors. theta energy: -155.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1768.267722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.267722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.267722 (E_RNA) where: Base-Base interactions energy: -1243.793 where: short stacking energy: -490.076 Base-Backbone interact. energy: -0.155 local terms energy: -524.319156 where: bonds (distance) C4'-P energy: -91.901 bonds (distance) P-C4' energy: -84.694 flat angles C4'-P-C4' energy: -113.896 flat angles P-C4'-P energy: -78.881 tors. eta vs tors. theta energy: -154.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1688.159856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.159856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.159856 (E_RNA) where: Base-Base interactions energy: -1181.268 where: short stacking energy: -476.102 Base-Backbone interact. energy: 1.320 local terms energy: -508.211732 where: bonds (distance) C4'-P energy: -83.928 bonds (distance) P-C4' energy: -101.616 flat angles C4'-P-C4' energy: -97.132 flat angles P-C4'-P energy: -71.064 tors. eta vs tors. theta energy: -154.472 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: 6 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1577.641839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.641839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.641839 (E_RNA) where: Base-Base interactions energy: -1127.052 where: short stacking energy: -459.167 Base-Backbone interact. energy: -2.430 local terms energy: -448.160117 where: bonds (distance) C4'-P energy: -82.652 bonds (distance) P-C4' energy: -80.737 flat angles C4'-P-C4' energy: -95.184 flat angles P-C4'-P energy: -55.576 tors. eta vs tors. theta energy: -134.011 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: 1 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1403.822088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.822088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.822088 (E_RNA) where: Base-Base interactions energy: -957.281 where: short stacking energy: -395.770 Base-Backbone interact. energy: -0.063 local terms energy: -446.478193 where: bonds (distance) C4'-P energy: -89.600 bonds (distance) P-C4' energy: -82.821 flat angles C4'-P-C4' energy: -89.883 flat angles P-C4'-P energy: -71.066 tors. eta vs tors. theta energy: -113.108 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: 7, replica: 4 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1454.613658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.613658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.613658 (E_RNA) where: Base-Base interactions energy: -1013.434 where: short stacking energy: -395.991 Base-Backbone interact. energy: -0.578 local terms energy: -440.601776 where: bonds (distance) C4'-P energy: -72.932 bonds (distance) P-C4' energy: -88.732 flat angles C4'-P-C4' energy: -103.878 flat angles P-C4'-P energy: -53.969 tors. eta vs tors. theta energy: -121.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1308.787684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.787684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.787684 (E_RNA) where: Base-Base interactions energy: -869.550 where: short stacking energy: -369.522 Base-Backbone interact. energy: -1.512 local terms energy: -437.725546 where: bonds (distance) C4'-P energy: -77.969 bonds (distance) P-C4' energy: -96.612 flat angles C4'-P-C4' energy: -91.485 flat angles P-C4'-P energy: -67.447 tors. eta vs tors. theta energy: -104.213 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: 439 Temperature: 1.300000 Total energy: -1046.694072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.694072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.694072 (E_RNA) where: Base-Base interactions energy: -692.151 where: short stacking energy: -279.837 Base-Backbone interact. energy: 6.877 local terms energy: -361.420590 where: bonds (distance) C4'-P energy: -80.592 bonds (distance) P-C4' energy: -89.712 flat angles C4'-P-C4' energy: -79.287 flat angles P-C4'-P energy: -46.847 tors. eta vs tors. theta energy: -64.981 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: 9 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -729.164193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.164193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.164193 (E_RNA) where: Base-Base interactions energy: -425.376 where: short stacking energy: -201.162 Base-Backbone interact. energy: -1.180 local terms energy: -302.608451 where: bonds (distance) C4'-P energy: -83.267 bonds (distance) P-C4' energy: -79.698 flat angles C4'-P-C4' energy: -72.116 flat angles P-C4'-P energy: -43.093 tors. eta vs tors. theta energy: -24.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1910.345662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.345662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.345662 (E_RNA) where: Base-Base interactions energy: -1351.099 where: short stacking energy: -546.348 Base-Backbone interact. energy: -1.825 local terms energy: -557.421453 where: bonds (distance) C4'-P energy: -96.305 bonds (distance) P-C4' energy: -91.623 flat angles C4'-P-C4' energy: -116.968 flat angles P-C4'-P energy: -85.121 tors. eta vs tors. theta energy: -167.405 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: 2, replica: 8 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1788.286162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.286162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.286162 (E_RNA) where: Base-Base interactions energy: -1261.324 where: short stacking energy: -509.223 Base-Backbone interact. energy: 3.204 local terms energy: -530.165444 where: bonds (distance) C4'-P energy: -85.036 bonds (distance) P-C4' energy: -96.228 flat angles C4'-P-C4' energy: -111.914 flat angles P-C4'-P energy: -78.560 tors. eta vs tors. theta energy: -158.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1783.823294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.823294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.823294 (E_RNA) where: Base-Base interactions energy: -1250.424 where: short stacking energy: -514.421 Base-Backbone interact. energy: -0.874 local terms energy: -532.525116 where: bonds (distance) C4'-P energy: -87.394 bonds (distance) P-C4' energy: -103.465 flat angles C4'-P-C4' energy: -114.395 flat angles P-C4'-P energy: -65.808 tors. eta vs tors. theta energy: -161.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1670.143135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.143135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.143135 (E_RNA) where: Base-Base interactions energy: -1184.961 where: short stacking energy: -479.559 Base-Backbone interact. energy: 1.348 local terms energy: -486.529499 where: bonds (distance) C4'-P energy: -84.234 bonds (distance) P-C4' energy: -81.812 flat angles C4'-P-C4' energy: -100.363 flat angles P-C4'-P energy: -69.123 tors. eta vs tors. theta energy: -150.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1552.394240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.394240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.394240 (E_RNA) where: Base-Base interactions energy: -1086.676 where: short stacking energy: -432.932 Base-Backbone interact. energy: -3.877 local terms energy: -461.841064 where: bonds (distance) C4'-P energy: -83.193 bonds (distance) P-C4' energy: -92.819 flat angles C4'-P-C4' energy: -86.739 flat angles P-C4'-P energy: -70.983 tors. eta vs tors. theta energy: -128.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1428.650890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.650890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.650890 (E_RNA) where: Base-Base interactions energy: -1013.783 where: short stacking energy: -412.857 Base-Backbone interact. energy: 0.119 local terms energy: -414.986650 where: bonds (distance) C4'-P energy: -73.046 bonds (distance) P-C4' energy: -77.571 flat angles C4'-P-C4' energy: -89.121 flat angles P-C4'-P energy: -65.095 tors. eta vs tors. theta energy: -110.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1457.598385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.598385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.598385 (E_RNA) where: Base-Base interactions energy: -1010.080 where: short stacking energy: -387.455 Base-Backbone interact. energy: -0.796 local terms energy: -446.722399 where: bonds (distance) C4'-P energy: -83.387 bonds (distance) P-C4' energy: -82.823 flat angles C4'-P-C4' energy: -95.748 flat angles P-C4'-P energy: -65.192 tors. eta vs tors. theta energy: -119.573 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: 5 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1274.952253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.952253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.952253 (E_RNA) where: Base-Base interactions energy: -863.972 where: short stacking energy: -373.961 Base-Backbone interact. energy: 0.665 local terms energy: -411.645596 where: bonds (distance) C4'-P energy: -76.108 bonds (distance) P-C4' energy: -73.344 flat angles C4'-P-C4' energy: -95.294 flat angles P-C4'-P energy: -62.963 tors. eta vs tors. theta energy: -103.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1064.478787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.478787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.478787 (E_RNA) where: Base-Base interactions energy: -685.363 where: short stacking energy: -272.161 Base-Backbone interact. energy: 1.258 local terms energy: -380.374141 where: bonds (distance) C4'-P energy: -81.212 bonds (distance) P-C4' energy: -88.918 flat angles C4'-P-C4' energy: -91.083 flat angles P-C4'-P energy: -46.459 tors. eta vs tors. theta energy: -72.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -735.953605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.953605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.953605 (E_RNA) where: Base-Base interactions energy: -434.252 where: short stacking energy: -221.671 Base-Backbone interact. energy: -0.488 local terms energy: -301.214050 where: bonds (distance) C4'-P energy: -66.814 bonds (distance) P-C4' energy: -81.214 flat angles C4'-P-C4' energy: -79.538 flat angles P-C4'-P energy: -44.038 tors. eta vs tors. theta energy: -29.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1910.187319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.187319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.187319 (E_RNA) where: Base-Base interactions energy: -1370.870 where: short stacking energy: -543.751 Base-Backbone interact. energy: -0.435 local terms energy: -538.882571 where: bonds (distance) C4'-P energy: -84.240 bonds (distance) P-C4' energy: -93.795 flat angles C4'-P-C4' energy: -112.708 flat angles P-C4'-P energy: -82.414 tors. eta vs tors. theta energy: -165.726 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: 8 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1806.367516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.367516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.367516 (E_RNA) where: Base-Base interactions energy: -1255.789 where: short stacking energy: -509.664 Base-Backbone interact. energy: 0.156 local terms energy: -550.734535 where: bonds (distance) C4'-P energy: -97.622 bonds (distance) P-C4' energy: -101.982 flat angles C4'-P-C4' energy: -113.197 flat angles P-C4'-P energy: -85.740 tors. eta vs tors. theta energy: -152.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1750.359861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.359861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.359861 (E_RNA) where: Base-Base interactions energy: -1221.493 where: short stacking energy: -490.919 Base-Backbone interact. energy: -1.163 local terms energy: -527.704142 where: bonds (distance) C4'-P energy: -94.674 bonds (distance) P-C4' energy: -96.048 flat angles C4'-P-C4' energy: -102.860 flat angles P-C4'-P energy: -73.601 tors. eta vs tors. theta energy: -160.521 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: 7 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1672.349282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.349282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.349282 (E_RNA) where: Base-Base interactions energy: -1176.348 where: short stacking energy: -479.200 Base-Backbone interact. energy: -3.147 local terms energy: -492.854772 where: bonds (distance) C4'-P energy: -85.050 bonds (distance) P-C4' energy: -84.591 flat angles C4'-P-C4' energy: -106.651 flat angles P-C4'-P energy: -65.316 tors. eta vs tors. theta energy: -151.247 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: 6 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1516.418120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.418120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.418120 (E_RNA) where: Base-Base interactions energy: -1042.772 where: short stacking energy: -410.739 Base-Backbone interact. energy: -3.003 local terms energy: -470.642577 where: bonds (distance) C4'-P energy: -97.451 bonds (distance) P-C4' energy: -69.679 flat angles C4'-P-C4' energy: -108.879 flat angles P-C4'-P energy: -71.755 tors. eta vs tors. theta energy: -122.878 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: 441 Temperature: 1.150000 Total energy: -1437.388221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.388221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.388221 (E_RNA) where: Base-Base interactions energy: -988.562 where: short stacking energy: -405.864 Base-Backbone interact. energy: -2.387 local terms energy: -446.438862 where: bonds (distance) C4'-P energy: -82.269 bonds (distance) P-C4' energy: -83.057 flat angles C4'-P-C4' energy: -104.352 flat angles P-C4'-P energy: -67.063 tors. eta vs tors. theta energy: -109.698 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: 4 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1442.427963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.427963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.427963 (E_RNA) where: Base-Base interactions energy: -973.003 where: short stacking energy: -411.554 Base-Backbone interact. energy: -0.143 local terms energy: -469.281808 where: bonds (distance) C4'-P energy: -87.162 bonds (distance) P-C4' energy: -84.062 flat angles C4'-P-C4' energy: -106.723 flat angles P-C4'-P energy: -64.976 tors. eta vs tors. theta energy: -126.359 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: 5 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1321.906255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.906255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.906255 (E_RNA) where: Base-Base interactions energy: -913.051 where: short stacking energy: -363.284 Base-Backbone interact. energy: 0.454 local terms energy: -409.309945 where: bonds (distance) C4'-P energy: -83.640 bonds (distance) P-C4' energy: -82.475 flat angles C4'-P-C4' energy: -86.268 flat angles P-C4'-P energy: -50.706 tors. eta vs tors. theta energy: -106.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -1065.586788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.586788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.586788 (E_RNA) where: Base-Base interactions energy: -719.472 where: short stacking energy: -300.288 Base-Backbone interact. energy: 2.241 local terms energy: -348.356049 where: bonds (distance) C4'-P energy: -69.616 bonds (distance) P-C4' energy: -65.620 flat angles C4'-P-C4' energy: -81.141 flat angles P-C4'-P energy: -51.702 tors. eta vs tors. theta energy: -80.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -768.400604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.400604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.400604 (E_RNA) where: Base-Base interactions energy: -471.349 where: short stacking energy: -223.155 Base-Backbone interact. energy: 3.377 local terms energy: -300.428537 where: bonds (distance) C4'-P energy: -82.304 bonds (distance) P-C4' energy: -69.629 flat angles C4'-P-C4' energy: -76.815 flat angles P-C4'-P energy: -35.838 tors. eta vs tors. theta energy: -35.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1914.162600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.162600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.162600 (E_RNA) where: Base-Base interactions energy: -1352.020 where: short stacking energy: -547.654 Base-Backbone interact. energy: -1.099 local terms energy: -561.043036 where: bonds (distance) C4'-P energy: -102.243 bonds (distance) P-C4' energy: -95.894 flat angles C4'-P-C4' energy: -113.257 flat angles P-C4'-P energy: -76.198 tors. eta vs tors. theta energy: -173.450 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: 2, replica: 8 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1826.583821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.583821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.583821 (E_RNA) where: Base-Base interactions energy: -1256.248 where: short stacking energy: -521.210 Base-Backbone interact. energy: -0.034 local terms energy: -570.301562 where: bonds (distance) C4'-P energy: -102.767 bonds (distance) P-C4' energy: -96.396 flat angles C4'-P-C4' energy: -123.590 flat angles P-C4'-P energy: -80.330 tors. eta vs tors. theta energy: -167.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1755.182265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.182265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.182265 (E_RNA) where: Base-Base interactions energy: -1240.501 where: short stacking energy: -487.062 Base-Backbone interact. energy: -1.401 local terms energy: -513.280793 where: bonds (distance) C4'-P energy: -85.106 bonds (distance) P-C4' energy: -95.113 flat angles C4'-P-C4' energy: -116.179 flat angles P-C4'-P energy: -66.852 tors. eta vs tors. theta energy: -150.031 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: 4, replica: 7 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1688.821069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.821069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.821069 (E_RNA) where: Base-Base interactions energy: -1187.918 where: short stacking energy: -474.791 Base-Backbone interact. energy: -3.895 local terms energy: -497.008432 where: bonds (distance) C4'-P energy: -83.128 bonds (distance) P-C4' energy: -81.983 flat angles C4'-P-C4' energy: -101.124 flat angles P-C4'-P energy: -75.561 tors. eta vs tors. theta energy: -155.213 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: 6 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1494.334485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.334485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.334485 (E_RNA) where: Base-Base interactions energy: -1045.008 where: short stacking energy: -439.767 Base-Backbone interact. energy: -0.907 local terms energy: -448.420124 where: bonds (distance) C4'-P energy: -82.919 bonds (distance) P-C4' energy: -74.613 flat angles C4'-P-C4' energy: -105.087 flat angles P-C4'-P energy: -60.901 tors. eta vs tors. theta energy: -124.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1399.230377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.230377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.230377 (E_RNA) where: Base-Base interactions energy: -948.535 where: short stacking energy: -379.047 Base-Backbone interact. energy: -0.516 local terms energy: -450.179821 where: bonds (distance) C4'-P energy: -78.683 bonds (distance) P-C4' energy: -86.084 flat angles C4'-P-C4' energy: -107.016 flat angles P-C4'-P energy: -65.768 tors. eta vs tors. theta energy: -112.629 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: 4 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1432.743942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.743942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.743942 (E_RNA) where: Base-Base interactions energy: -1005.278 where: short stacking energy: -408.535 Base-Backbone interact. energy: 3.546 local terms energy: -431.012340 where: bonds (distance) C4'-P energy: -87.036 bonds (distance) P-C4' energy: -71.612 flat angles C4'-P-C4' energy: -88.016 flat angles P-C4'-P energy: -60.530 tors. eta vs tors. theta energy: -123.818 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: 5 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1307.431200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.431200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.431200 (E_RNA) where: Base-Base interactions energy: -885.964 where: short stacking energy: -362.164 Base-Backbone interact. energy: -0.023 local terms energy: -421.443969 where: bonds (distance) C4'-P energy: -86.555 bonds (distance) P-C4' energy: -75.998 flat angles C4'-P-C4' energy: -97.025 flat angles P-C4'-P energy: -57.895 tors. eta vs tors. theta energy: -103.971 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: 10 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -1084.183701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.183701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.183701 (E_RNA) where: Base-Base interactions energy: -726.898 where: short stacking energy: -332.093 Base-Backbone interact. energy: 2.109 local terms energy: -359.394590 where: bonds (distance) C4'-P energy: -81.811 bonds (distance) P-C4' energy: -64.743 flat angles C4'-P-C4' energy: -84.097 flat angles P-C4'-P energy: -50.346 tors. eta vs tors. theta energy: -78.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -819.936069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.936069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.936069 (E_RNA) where: Base-Base interactions energy: -489.672 where: short stacking energy: -220.667 Base-Backbone interact. energy: 1.867 local terms energy: -332.131665 where: bonds (distance) C4'-P energy: -71.406 bonds (distance) P-C4' energy: -69.572 flat angles C4'-P-C4' energy: -79.117 flat angles P-C4'-P energy: -62.544 tors. eta vs tors. theta energy: -49.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1901.889334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.889334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.889334 (E_RNA) where: Base-Base interactions energy: -1356.628 where: short stacking energy: -549.103 Base-Backbone interact. energy: -0.873 local terms energy: -544.388048 where: bonds (distance) C4'-P energy: -77.154 bonds (distance) P-C4' energy: -104.170 flat angles C4'-P-C4' energy: -118.120 flat angles P-C4'-P energy: -80.480 tors. eta vs tors. theta energy: -164.465 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: 8 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1794.829123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.829123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.829123 (E_RNA) where: Base-Base interactions energy: -1241.859 where: short stacking energy: -507.300 Base-Backbone interact. energy: -1.876 local terms energy: -551.094590 where: bonds (distance) C4'-P energy: -95.187 bonds (distance) P-C4' energy: -96.983 flat angles C4'-P-C4' energy: -118.967 flat angles P-C4'-P energy: -80.756 tors. eta vs tors. theta energy: -159.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1792.111036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.111036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.111036 (E_RNA) where: Base-Base interactions energy: -1273.848 where: short stacking energy: -524.930 Base-Backbone interact. energy: 2.002 local terms energy: -520.265901 where: bonds (distance) C4'-P energy: -75.034 bonds (distance) P-C4' energy: -82.745 flat angles C4'-P-C4' energy: -118.091 flat angles P-C4'-P energy: -82.625 tors. eta vs tors. theta energy: -161.771 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: 4, replica: 7 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1654.279179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.279179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.279179 (E_RNA) where: Base-Base interactions energy: -1146.954 where: short stacking energy: -471.319 Base-Backbone interact. energy: -2.169 local terms energy: -505.156612 where: bonds (distance) C4'-P energy: -95.945 bonds (distance) P-C4' energy: -76.394 flat angles C4'-P-C4' energy: -107.232 flat angles P-C4'-P energy: -79.048 tors. eta vs tors. theta energy: -146.538 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: 443 Temperature: 1.100000 Total energy: -1500.671225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.671225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.671225 (E_RNA) where: Base-Base interactions energy: -1036.709 where: short stacking energy: -423.455 Base-Backbone interact. energy: -0.597 local terms energy: -463.365295 where: bonds (distance) C4'-P energy: -89.281 bonds (distance) P-C4' energy: -71.248 flat angles C4'-P-C4' energy: -101.196 flat angles P-C4'-P energy: -74.079 tors. eta vs tors. theta energy: -127.561 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: 4 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1496.539613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.539613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.539613 (E_RNA) where: Base-Base interactions energy: -1023.817 where: short stacking energy: -424.092 Base-Backbone interact. energy: -0.707 local terms energy: -472.015649 where: bonds (distance) C4'-P energy: -79.687 bonds (distance) P-C4' energy: -92.115 flat angles C4'-P-C4' energy: -91.013 flat angles P-C4'-P energy: -76.325 tors. eta vs tors. theta energy: -132.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1297.478316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.478316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.478316 (E_RNA) where: Base-Base interactions energy: -855.346 where: short stacking energy: -356.497 Base-Backbone interact. energy: -1.905 local terms energy: -440.226617 where: bonds (distance) C4'-P energy: -76.616 bonds (distance) P-C4' energy: -92.241 flat angles C4'-P-C4' energy: -104.886 flat angles P-C4'-P energy: -70.996 tors. eta vs tors. theta energy: -95.489 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: 8, replica: 5 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1287.018473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.018473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.018473 (E_RNA) where: Base-Base interactions energy: -864.716 where: short stacking energy: -349.771 Base-Backbone interact. energy: -0.309 local terms energy: -421.993050 where: bonds (distance) C4'-P energy: -79.186 bonds (distance) P-C4' energy: -94.933 flat angles C4'-P-C4' energy: -87.444 flat angles P-C4'-P energy: -57.821 tors. eta vs tors. theta energy: -102.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -1044.842478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.842478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.842478 (E_RNA) where: Base-Base interactions energy: -682.126 where: short stacking energy: -302.928 Base-Backbone interact. energy: -2.215 local terms energy: -360.501706 where: bonds (distance) C4'-P energy: -88.444 bonds (distance) P-C4' energy: -86.490 flat angles C4'-P-C4' energy: -78.933 flat angles P-C4'-P energy: -51.747 tors. eta vs tors. theta energy: -54.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -791.256141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.256141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.256141 (E_RNA) where: Base-Base interactions energy: -499.633 where: short stacking energy: -225.430 Base-Backbone interact. energy: -0.695 local terms energy: -290.928291 where: bonds (distance) C4'-P energy: -77.811 bonds (distance) P-C4' energy: -70.050 flat angles C4'-P-C4' energy: -70.940 flat angles P-C4'-P energy: -35.764 tors. eta vs tors. theta energy: -36.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1893.956265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.956265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.956265 (E_RNA) where: Base-Base interactions energy: -1336.040 where: short stacking energy: -550.303 Base-Backbone interact. energy: -1.581 local terms energy: -556.335094 where: bonds (distance) C4'-P energy: -95.548 bonds (distance) P-C4' energy: -94.062 flat angles C4'-P-C4' energy: -117.264 flat angles P-C4'-P energy: -86.292 tors. eta vs tors. theta energy: -163.169 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: 8 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1804.430406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.430406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.430406 (E_RNA) where: Base-Base interactions energy: -1252.573 where: short stacking energy: -511.269 Base-Backbone interact. energy: -0.785 local terms energy: -551.072398 where: bonds (distance) C4'-P energy: -88.295 bonds (distance) P-C4' energy: -99.209 flat angles C4'-P-C4' energy: -122.466 flat angles P-C4'-P energy: -80.235 tors. eta vs tors. theta energy: -160.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1784.625824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.625824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.625824 (E_RNA) where: Base-Base interactions energy: -1257.473 where: short stacking energy: -501.760 Base-Backbone interact. energy: 0.688 local terms energy: -527.840319 where: bonds (distance) C4'-P energy: -83.499 bonds (distance) P-C4' energy: -98.297 flat angles C4'-P-C4' energy: -109.596 flat angles P-C4'-P energy: -80.665 tors. eta vs tors. theta energy: -155.783 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: 7 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1627.880397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.880397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.880397 (E_RNA) where: Base-Base interactions energy: -1134.749 where: short stacking energy: -466.485 Base-Backbone interact. energy: 0.215 local terms energy: -493.346090 where: bonds (distance) C4'-P energy: -67.231 bonds (distance) P-C4' energy: -105.585 flat angles C4'-P-C4' energy: -104.186 flat angles P-C4'-P energy: -76.497 tors. eta vs tors. theta energy: -139.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1556.808167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.808167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.808167 (E_RNA) where: Base-Base interactions energy: -1085.901 where: short stacking energy: -460.767 Base-Backbone interact. energy: -0.773 local terms energy: -470.133833 where: bonds (distance) C4'-P energy: -78.930 bonds (distance) P-C4' energy: -90.578 flat angles C4'-P-C4' energy: -96.505 flat angles P-C4'-P energy: -66.174 tors. eta vs tors. theta energy: -137.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1480.842294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.842294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.842294 (E_RNA) where: Base-Base interactions energy: -1032.688 where: short stacking energy: -410.089 Base-Backbone interact. energy: 4.413 local terms energy: -452.567679 where: bonds (distance) C4'-P energy: -93.855 bonds (distance) P-C4' energy: -81.604 flat angles C4'-P-C4' energy: -84.905 flat angles P-C4'-P energy: -67.865 tors. eta vs tors. theta energy: -124.339 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: 7, replica: 1 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1327.274895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.274895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.274895 (E_RNA) where: Base-Base interactions energy: -901.596 where: short stacking energy: -375.730 Base-Backbone interact. energy: -2.413 local terms energy: -423.266493 where: bonds (distance) C4'-P energy: -90.319 bonds (distance) P-C4' energy: -95.178 flat angles C4'-P-C4' energy: -90.720 flat angles P-C4'-P energy: -44.722 tors. eta vs tors. theta energy: -102.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1273.003695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.003695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.003695 (E_RNA) where: Base-Base interactions energy: -862.709 where: short stacking energy: -359.063 Base-Backbone interact. energy: -1.821 local terms energy: -408.473464 where: bonds (distance) C4'-P energy: -69.163 bonds (distance) P-C4' energy: -84.936 flat angles C4'-P-C4' energy: -83.970 flat angles P-C4'-P energy: -68.822 tors. eta vs tors. theta energy: -101.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -1034.561221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.561221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.561221 (E_RNA) where: Base-Base interactions energy: -660.820 where: short stacking energy: -284.490 Base-Backbone interact. energy: -1.282 local terms energy: -372.459194 where: bonds (distance) C4'-P energy: -78.451 bonds (distance) P-C4' energy: -83.858 flat angles C4'-P-C4' energy: -73.725 flat angles P-C4'-P energy: -65.748 tors. eta vs tors. theta energy: -70.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -753.178460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.178460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.178460 (E_RNA) where: Base-Base interactions energy: -463.657 where: short stacking energy: -237.703 Base-Backbone interact. energy: -0.501 local terms energy: -289.019971 where: bonds (distance) C4'-P energy: -75.300 bonds (distance) P-C4' energy: -77.102 flat angles C4'-P-C4' energy: -58.916 flat angles P-C4'-P energy: -37.746 tors. eta vs tors. theta energy: -39.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1902.911906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.911906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.911906 (E_RNA) where: Base-Base interactions energy: -1348.835 where: short stacking energy: -521.846 Base-Backbone interact. energy: -3.187 local terms energy: -550.889645 where: bonds (distance) C4'-P energy: -98.359 bonds (distance) P-C4' energy: -101.941 flat angles C4'-P-C4' energy: -112.478 flat angles P-C4'-P energy: -74.951 tors. eta vs tors. theta energy: -163.161 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: 3 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1780.528282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.528282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.528282 (E_RNA) where: Base-Base interactions energy: -1242.688 where: short stacking energy: -502.853 Base-Backbone interact. energy: 0.366 local terms energy: -538.206679 where: bonds (distance) C4'-P energy: -93.632 bonds (distance) P-C4' energy: -91.211 flat angles C4'-P-C4' energy: -117.775 flat angles P-C4'-P energy: -81.589 tors. eta vs tors. theta energy: -154.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1738.357881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.357881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.357881 (E_RNA) where: Base-Base interactions energy: -1205.878 where: short stacking energy: -500.873 Base-Backbone interact. energy: -0.749 local terms energy: -531.730984 where: bonds (distance) C4'-P energy: -97.165 bonds (distance) P-C4' energy: -99.342 flat angles C4'-P-C4' energy: -103.700 flat angles P-C4'-P energy: -79.266 tors. eta vs tors. theta energy: -152.258 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: 4, replica: 7 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1633.717304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.717304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.717304 (E_RNA) where: Base-Base interactions energy: -1142.130 where: short stacking energy: -449.734 Base-Backbone interact. energy: -0.896 local terms energy: -490.692055 where: bonds (distance) C4'-P energy: -85.314 bonds (distance) P-C4' energy: -92.783 flat angles C4'-P-C4' energy: -105.595 flat angles P-C4'-P energy: -66.949 tors. eta vs tors. theta energy: -140.050 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: 4 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1587.315030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.315030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.315030 (E_RNA) where: Base-Base interactions energy: -1101.596 where: short stacking energy: -467.712 Base-Backbone interact. energy: -0.657 local terms energy: -485.062547 where: bonds (distance) C4'-P energy: -68.615 bonds (distance) P-C4' energy: -89.633 flat angles C4'-P-C4' energy: -104.055 flat angles P-C4'-P energy: -73.723 tors. eta vs tors. theta energy: -149.037 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: 6 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1449.490572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.490572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.490572 (E_RNA) where: Base-Base interactions energy: -1009.768 where: short stacking energy: -421.204 Base-Backbone interact. energy: 0.377 local terms energy: -440.099584 where: bonds (distance) C4'-P energy: -80.306 bonds (distance) P-C4' energy: -90.446 flat angles C4'-P-C4' energy: -92.608 flat angles P-C4'-P energy: -58.094 tors. eta vs tors. theta energy: -118.645 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: 1 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1315.040108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.040108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.040108 (E_RNA) where: Base-Base interactions energy: -907.176 where: short stacking energy: -368.173 Base-Backbone interact. energy: -0.668 local terms energy: -407.196181 where: bonds (distance) C4'-P energy: -79.406 bonds (distance) P-C4' energy: -81.926 flat angles C4'-P-C4' energy: -92.299 flat angles P-C4'-P energy: -63.888 tors. eta vs tors. theta energy: -89.677 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: 8, replica: 5 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1273.427059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.427059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.427059 (E_RNA) where: Base-Base interactions energy: -881.666 where: short stacking energy: -366.728 Base-Backbone interact. energy: 0.355 local terms energy: -392.116353 where: bonds (distance) C4'-P energy: -78.920 bonds (distance) P-C4' energy: -72.948 flat angles C4'-P-C4' energy: -88.845 flat angles P-C4'-P energy: -51.214 tors. eta vs tors. theta energy: -100.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -1051.407337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.407337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.407337 (E_RNA) where: Base-Base interactions energy: -691.695 where: short stacking energy: -305.678 Base-Backbone interact. energy: 1.176 local terms energy: -360.888470 where: bonds (distance) C4'-P energy: -80.729 bonds (distance) P-C4' energy: -58.120 flat angles C4'-P-C4' energy: -84.198 flat angles P-C4'-P energy: -47.145 tors. eta vs tors. theta energy: -90.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -737.687499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.687499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.687499 (E_RNA) where: Base-Base interactions energy: -413.637 where: short stacking energy: -179.789 Base-Backbone interact. energy: 1.143 local terms energy: -325.193097 where: bonds (distance) C4'-P energy: -96.219 bonds (distance) P-C4' energy: -89.859 flat angles C4'-P-C4' energy: -71.732 flat angles P-C4'-P energy: -45.183 tors. eta vs tors. theta energy: -22.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1938.560963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.560963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.560963 (E_RNA) where: Base-Base interactions energy: -1372.502 where: short stacking energy: -547.156 Base-Backbone interact. energy: -0.679 local terms energy: -565.380276 where: bonds (distance) C4'-P energy: -95.931 bonds (distance) P-C4' energy: -96.955 flat angles C4'-P-C4' energy: -120.037 flat angles P-C4'-P energy: -75.177 tors. eta vs tors. theta energy: -177.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1800.173527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.173527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.173527 (E_RNA) where: Base-Base interactions energy: -1278.824 where: short stacking energy: -520.547 Base-Backbone interact. energy: -0.329 local terms energy: -521.020056 where: bonds (distance) C4'-P energy: -85.646 bonds (distance) P-C4' energy: -94.878 flat angles C4'-P-C4' energy: -106.307 flat angles P-C4'-P energy: -74.853 tors. eta vs tors. theta energy: -159.337 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: 8 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1765.278857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.278857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.278857 (E_RNA) where: Base-Base interactions energy: -1231.005 where: short stacking energy: -503.467 Base-Backbone interact. energy: -0.334 local terms energy: -533.939653 where: bonds (distance) C4'-P energy: -86.133 bonds (distance) P-C4' energy: -103.558 flat angles C4'-P-C4' energy: -115.865 flat angles P-C4'-P energy: -71.187 tors. eta vs tors. theta energy: -157.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1677.711750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.711750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.711750 (E_RNA) where: Base-Base interactions energy: -1170.934 where: short stacking energy: -481.930 Base-Backbone interact. energy: 0.417 local terms energy: -507.194140 where: bonds (distance) C4'-P energy: -91.112 bonds (distance) P-C4' energy: -81.867 flat angles C4'-P-C4' energy: -105.044 flat angles P-C4'-P energy: -72.672 tors. eta vs tors. theta energy: -156.499 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: 4 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1536.749583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.749583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.749583 (E_RNA) where: Base-Base interactions energy: -1069.380 where: short stacking energy: -436.783 Base-Backbone interact. energy: -1.177 local terms energy: -466.193297 where: bonds (distance) C4'-P energy: -63.985 bonds (distance) P-C4' energy: -90.468 flat angles C4'-P-C4' energy: -103.807 flat angles P-C4'-P energy: -66.374 tors. eta vs tors. theta energy: -141.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1480.027066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.027066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.027066 (E_RNA) where: Base-Base interactions energy: -1018.919 where: short stacking energy: -425.091 Base-Backbone interact. energy: -0.367 local terms energy: -460.741087 where: bonds (distance) C4'-P energy: -86.741 bonds (distance) P-C4' energy: -74.080 flat angles C4'-P-C4' energy: -107.380 flat angles P-C4'-P energy: -67.990 tors. eta vs tors. theta energy: -124.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1302.590838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.590838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.590838 (E_RNA) where: Base-Base interactions energy: -877.146 where: short stacking energy: -362.014 Base-Backbone interact. energy: -2.414 local terms energy: -423.030758 where: bonds (distance) C4'-P energy: -73.447 bonds (distance) P-C4' energy: -79.719 flat angles C4'-P-C4' energy: -94.673 flat angles P-C4'-P energy: -61.596 tors. eta vs tors. theta energy: -113.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1253.244190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.244190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.244190 (E_RNA) where: Base-Base interactions energy: -850.783 where: short stacking energy: -352.764 Base-Backbone interact. energy: -1.853 local terms energy: -400.608676 where: bonds (distance) C4'-P energy: -81.608 bonds (distance) P-C4' energy: -73.305 flat angles C4'-P-C4' energy: -85.737 flat angles P-C4'-P energy: -60.024 tors. eta vs tors. theta energy: -99.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -1035.764187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.764187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.764187 (E_RNA) where: Base-Base interactions energy: -675.906 where: short stacking energy: -290.169 Base-Backbone interact. energy: -1.076 local terms energy: -358.782028 where: bonds (distance) C4'-P energy: -67.081 bonds (distance) P-C4' energy: -93.525 flat angles C4'-P-C4' energy: -82.031 flat angles P-C4'-P energy: -55.507 tors. eta vs tors. theta energy: -60.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -758.918623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.918623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.918623 (E_RNA) where: Base-Base interactions energy: -421.216 where: short stacking energy: -195.405 Base-Backbone interact. energy: -1.002 local terms energy: -336.700704 where: bonds (distance) C4'-P energy: -87.712 bonds (distance) P-C4' energy: -92.736 flat angles C4'-P-C4' energy: -78.769 flat angles P-C4'-P energy: -48.788 tors. eta vs tors. theta energy: -28.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1921.413942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.413942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.413942 (E_RNA) where: Base-Base interactions energy: -1365.844 where: short stacking energy: -559.259 Base-Backbone interact. energy: -0.090 local terms energy: -555.479118 where: bonds (distance) C4'-P energy: -99.733 bonds (distance) P-C4' energy: -97.510 flat angles C4'-P-C4' energy: -114.036 flat angles P-C4'-P energy: -74.896 tors. eta vs tors. theta energy: -169.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1778.080229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.080229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.080229 (E_RNA) where: Base-Base interactions energy: -1245.072 where: short stacking energy: -503.433 Base-Backbone interact. energy: -2.632 local terms energy: -530.376572 where: bonds (distance) C4'-P energy: -105.131 bonds (distance) P-C4' energy: -78.635 flat angles C4'-P-C4' energy: -113.195 flat angles P-C4'-P energy: -79.933 tors. eta vs tors. theta energy: -153.484 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: 8 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1745.439934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.439934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.439934 (E_RNA) where: Base-Base interactions energy: -1230.208 where: short stacking energy: -512.640 Base-Backbone interact. energy: -0.546 local terms energy: -514.685175 where: bonds (distance) C4'-P energy: -91.220 bonds (distance) P-C4' energy: -92.088 flat angles C4'-P-C4' energy: -104.871 flat angles P-C4'-P energy: -71.222 tors. eta vs tors. theta energy: -155.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1702.047003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.047003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.047003 (E_RNA) where: Base-Base interactions energy: -1181.255 where: short stacking energy: -493.295 Base-Backbone interact. energy: -0.413 local terms energy: -520.379804 where: bonds (distance) C4'-P energy: -92.881 bonds (distance) P-C4' energy: -78.009 flat angles C4'-P-C4' energy: -114.592 flat angles P-C4'-P energy: -73.876 tors. eta vs tors. theta energy: -161.023 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: 4 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -1557.329879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.329879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.329879 (E_RNA) where: Base-Base interactions energy: -1093.904 where: short stacking energy: -450.467 Base-Backbone interact. energy: -1.120 local terms energy: -462.305830 where: bonds (distance) C4'-P energy: -76.639 bonds (distance) P-C4' energy: -81.856 flat angles C4'-P-C4' energy: -95.595 flat angles P-C4'-P energy: -73.420 tors. eta vs tors. theta energy: -134.796 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: 6 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1446.171734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.171734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.171734 (E_RNA) where: Base-Base interactions energy: -1000.630 where: short stacking energy: -404.711 Base-Backbone interact. energy: -1.138 local terms energy: -444.403860 where: bonds (distance) C4'-P energy: -82.677 bonds (distance) P-C4' energy: -74.888 flat angles C4'-P-C4' energy: -103.009 flat angles P-C4'-P energy: -62.877 tors. eta vs tors. theta energy: -120.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1346.083817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.083817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.083817 (E_RNA) where: Base-Base interactions energy: -926.841 where: short stacking energy: -378.232 Base-Backbone interact. energy: -0.755 local terms energy: -418.487939 where: bonds (distance) C4'-P energy: -67.608 bonds (distance) P-C4' energy: -79.272 flat angles C4'-P-C4' energy: -91.744 flat angles P-C4'-P energy: -67.823 tors. eta vs tors. theta energy: -112.040 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: 5 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1272.508164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.508164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.508164 (E_RNA) where: Base-Base interactions energy: -864.336 where: short stacking energy: -360.155 Base-Backbone interact. energy: -0.712 local terms energy: -407.459339 where: bonds (distance) C4'-P energy: -74.058 bonds (distance) P-C4' energy: -75.764 flat angles C4'-P-C4' energy: -98.363 flat angles P-C4'-P energy: -66.283 tors. eta vs tors. theta energy: -92.991 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: 10 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -1062.129629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.129629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.129629 (E_RNA) where: Base-Base interactions energy: -700.714 where: short stacking energy: -272.765 Base-Backbone interact. energy: -1.491 local terms energy: -359.924261 where: bonds (distance) C4'-P energy: -81.519 bonds (distance) P-C4' energy: -79.059 flat angles C4'-P-C4' energy: -90.852 flat angles P-C4'-P energy: -46.953 tors. eta vs tors. theta energy: -61.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -710.801020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.801020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.801020 (E_RNA) where: Base-Base interactions energy: -411.439 where: short stacking energy: -189.031 Base-Backbone interact. energy: 3.767 local terms energy: -303.128768 where: bonds (distance) C4'-P energy: -68.240 bonds (distance) P-C4' energy: -80.285 flat angles C4'-P-C4' energy: -74.949 flat angles P-C4'-P energy: -51.650 tors. eta vs tors. theta energy: -28.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1906.164509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.164509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.164509 (E_RNA) where: Base-Base interactions energy: -1349.787 where: short stacking energy: -545.999 Base-Backbone interact. energy: -1.799 local terms energy: -554.578076 where: bonds (distance) C4'-P energy: -102.394 bonds (distance) P-C4' energy: -86.715 flat angles C4'-P-C4' energy: -118.213 flat angles P-C4'-P energy: -73.990 tors. eta vs tors. theta energy: -173.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1789.375444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.375444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.375444 (E_RNA) where: Base-Base interactions energy: -1250.109 where: short stacking energy: -505.165 Base-Backbone interact. energy: 0.358 local terms energy: -539.624615 where: bonds (distance) C4'-P energy: -89.968 bonds (distance) P-C4' energy: -94.556 flat angles C4'-P-C4' energy: -113.767 flat angles P-C4'-P energy: -79.939 tors. eta vs tors. theta energy: -161.395 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: 3, replica: 8 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1747.310504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.310504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.310504 (E_RNA) where: Base-Base interactions energy: -1224.015 where: short stacking energy: -492.934 Base-Backbone interact. energy: -0.195 local terms energy: -523.100516 where: bonds (distance) C4'-P energy: -90.368 bonds (distance) P-C4' energy: -94.989 flat angles C4'-P-C4' energy: -104.956 flat angles P-C4'-P energy: -73.792 tors. eta vs tors. theta energy: -158.995 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: 7 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1647.054936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.054936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.054936 (E_RNA) where: Base-Base interactions energy: -1148.580 where: short stacking energy: -462.089 Base-Backbone interact. energy: -3.136 local terms energy: -495.339316 where: bonds (distance) C4'-P energy: -82.913 bonds (distance) P-C4' energy: -94.185 flat angles C4'-P-C4' energy: -98.396 flat angles P-C4'-P energy: -71.858 tors. eta vs tors. theta energy: -147.987 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: 4 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1585.667214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.667214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.667214 (E_RNA) where: Base-Base interactions energy: -1088.211 where: short stacking energy: -452.519 Base-Backbone interact. energy: -1.833 local terms energy: -495.623434 where: bonds (distance) C4'-P energy: -96.417 bonds (distance) P-C4' energy: -73.877 flat angles C4'-P-C4' energy: -106.222 flat angles P-C4'-P energy: -76.595 tors. eta vs tors. theta energy: -142.512 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: 6 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1474.623668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.623668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.623668 (E_RNA) where: Base-Base interactions energy: -1016.888 where: short stacking energy: -430.050 Base-Backbone interact. energy: -0.228 local terms energy: -457.507461 where: bonds (distance) C4'-P energy: -83.814 bonds (distance) P-C4' energy: -92.087 flat angles C4'-P-C4' energy: -97.581 flat angles P-C4'-P energy: -51.872 tors. eta vs tors. theta energy: -132.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1342.353635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.353635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.353635 (E_RNA) where: Base-Base interactions energy: -902.536 where: short stacking energy: -356.765 Base-Backbone interact. energy: 0.179 local terms energy: -439.996710 where: bonds (distance) C4'-P energy: -95.866 bonds (distance) P-C4' energy: -74.231 flat angles C4'-P-C4' energy: -97.070 flat angles P-C4'-P energy: -65.854 tors. eta vs tors. theta energy: -106.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1279.848790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.848790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.848790 (E_RNA) where: Base-Base interactions energy: -868.223 where: short stacking energy: -362.072 Base-Backbone interact. energy: -1.278 local terms energy: -410.347991 where: bonds (distance) C4'-P energy: -70.130 bonds (distance) P-C4' energy: -85.034 flat angles C4'-P-C4' energy: -99.158 flat angles P-C4'-P energy: -55.153 tors. eta vs tors. theta energy: -100.874 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: 10 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -1080.914552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.914552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.914552 (E_RNA) where: Base-Base interactions energy: -733.628 where: short stacking energy: -314.281 Base-Backbone interact. energy: 0.039 local terms energy: -347.325211 where: bonds (distance) C4'-P energy: -64.648 bonds (distance) P-C4' energy: -80.265 flat angles C4'-P-C4' energy: -68.922 flat angles P-C4'-P energy: -60.841 tors. eta vs tors. theta energy: -72.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -729.081374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.081374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.081374 (E_RNA) where: Base-Base interactions energy: -429.058 where: short stacking energy: -201.815 Base-Backbone interact. energy: -3.333 local terms energy: -296.689663 where: bonds (distance) C4'-P energy: -83.726 bonds (distance) P-C4' energy: -66.332 flat angles C4'-P-C4' energy: -73.529 flat angles P-C4'-P energy: -47.721 tors. eta vs tors. theta energy: -25.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1905.013410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.013410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.013410 (E_RNA) where: Base-Base interactions energy: -1348.272 where: short stacking energy: -536.108 Base-Backbone interact. energy: -1.476 local terms energy: -555.265113 where: bonds (distance) C4'-P energy: -103.359 bonds (distance) P-C4' energy: -93.859 flat angles C4'-P-C4' energy: -118.973 flat angles P-C4'-P energy: -79.115 tors. eta vs tors. theta energy: -159.959 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: 3 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1809.405531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.405531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.405531 (E_RNA) where: Base-Base interactions energy: -1265.677 where: short stacking energy: -511.329 Base-Backbone interact. energy: -0.972 local terms energy: -542.756462 where: bonds (distance) C4'-P energy: -101.454 bonds (distance) P-C4' energy: -99.225 flat angles C4'-P-C4' energy: -104.776 flat angles P-C4'-P energy: -74.296 tors. eta vs tors. theta energy: -163.006 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: 8 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1780.223324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.223324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.223324 (E_RNA) where: Base-Base interactions energy: -1253.437 where: short stacking energy: -517.470 Base-Backbone interact. energy: 0.514 local terms energy: -527.300737 where: bonds (distance) C4'-P energy: -91.636 bonds (distance) P-C4' energy: -94.480 flat angles C4'-P-C4' energy: -108.256 flat angles P-C4'-P energy: -67.042 tors. eta vs tors. theta energy: -165.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1684.252207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.252207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.252207 (E_RNA) where: Base-Base interactions energy: -1175.386 where: short stacking energy: -474.311 Base-Backbone interact. energy: -1.553 local terms energy: -507.313939 where: bonds (distance) C4'-P energy: -95.274 bonds (distance) P-C4' energy: -88.106 flat angles C4'-P-C4' energy: -96.152 flat angles P-C4'-P energy: -76.527 tors. eta vs tors. theta energy: -151.256 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: 4 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1572.612078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.612078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.612078 (E_RNA) where: Base-Base interactions energy: -1083.776 where: short stacking energy: -457.622 Base-Backbone interact. energy: 0.322 local terms energy: -489.157199 where: bonds (distance) C4'-P energy: -87.894 bonds (distance) P-C4' energy: -85.419 flat angles C4'-P-C4' energy: -103.770 flat angles P-C4'-P energy: -65.115 tors. eta vs tors. theta energy: -146.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1468.040406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.040406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.040406 (E_RNA) where: Base-Base interactions energy: -1004.465 where: short stacking energy: -421.157 Base-Backbone interact. energy: -1.447 local terms energy: -462.128771 where: bonds (distance) C4'-P energy: -90.855 bonds (distance) P-C4' energy: -82.577 flat angles C4'-P-C4' energy: -102.888 flat angles P-C4'-P energy: -73.205 tors. eta vs tors. theta energy: -112.604 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: 1 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1372.753254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.753254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.753254 (E_RNA) where: Base-Base interactions energy: -913.109 where: short stacking energy: -366.942 Base-Backbone interact. energy: -0.600 local terms energy: -459.044823 where: bonds (distance) C4'-P energy: -92.234 bonds (distance) P-C4' energy: -99.872 flat angles C4'-P-C4' energy: -98.765 flat angles P-C4'-P energy: -62.899 tors. eta vs tors. theta energy: -105.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1259.004634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.004634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.004634 (E_RNA) where: Base-Base interactions energy: -832.565 where: short stacking energy: -346.614 Base-Backbone interact. energy: -0.585 local terms energy: -425.854938 where: bonds (distance) C4'-P energy: -83.752 bonds (distance) P-C4' energy: -94.210 flat angles C4'-P-C4' energy: -87.810 flat angles P-C4'-P energy: -63.246 tors. eta vs tors. theta energy: -96.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -1063.286951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.286951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.286951 (E_RNA) where: Base-Base interactions energy: -706.256 where: short stacking energy: -304.115 Base-Backbone interact. energy: -0.525 local terms energy: -356.505538 where: bonds (distance) C4'-P energy: -73.118 bonds (distance) P-C4' energy: -69.632 flat angles C4'-P-C4' energy: -86.771 flat angles P-C4'-P energy: -55.188 tors. eta vs tors. theta energy: -71.797 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: 9 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -722.982157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.982157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.982157 (E_RNA) where: Base-Base interactions energy: -421.287 where: short stacking energy: -194.139 Base-Backbone interact. energy: -0.024 local terms energy: -301.670936 where: bonds (distance) C4'-P energy: -68.665 bonds (distance) P-C4' energy: -81.280 flat angles C4'-P-C4' energy: -75.419 flat angles P-C4'-P energy: -51.721 tors. eta vs tors. theta energy: -24.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1905.445099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.445099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.445099 (E_RNA) where: Base-Base interactions energy: -1349.670 where: short stacking energy: -542.746 Base-Backbone interact. energy: -2.012 local terms energy: -553.763677 where: bonds (distance) C4'-P energy: -92.383 bonds (distance) P-C4' energy: -101.490 flat angles C4'-P-C4' energy: -108.968 flat angles P-C4'-P energy: -83.570 tors. eta vs tors. theta energy: -167.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1811.620996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.620996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.620996 (E_RNA) where: Base-Base interactions energy: -1293.671 where: short stacking energy: -514.311 Base-Backbone interact. energy: -0.442 local terms energy: -517.507636 where: bonds (distance) C4'-P energy: -87.893 bonds (distance) P-C4' energy: -92.443 flat angles C4'-P-C4' energy: -107.627 flat angles P-C4'-P energy: -66.931 tors. eta vs tors. theta energy: -162.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1757.827686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.827686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.827686 (E_RNA) where: Base-Base interactions energy: -1238.692 where: short stacking energy: -498.172 Base-Backbone interact. energy: -0.102 local terms energy: -519.033781 where: bonds (distance) C4'-P energy: -94.690 bonds (distance) P-C4' energy: -94.049 flat angles C4'-P-C4' energy: -104.524 flat angles P-C4'-P energy: -62.277 tors. eta vs tors. theta energy: -163.495 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: 7 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1667.539772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.539772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.539772 (E_RNA) where: Base-Base interactions energy: -1171.659 where: short stacking energy: -485.493 Base-Backbone interact. energy: -1.430 local terms energy: -494.450580 where: bonds (distance) C4'-P energy: -77.968 bonds (distance) P-C4' energy: -79.678 flat angles C4'-P-C4' energy: -107.891 flat angles P-C4'-P energy: -82.410 tors. eta vs tors. theta energy: -146.503 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: 4 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1562.996616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.996616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.996616 (E_RNA) where: Base-Base interactions energy: -1099.584 where: short stacking energy: -449.286 Base-Backbone interact. energy: 2.291 local terms energy: -465.703679 where: bonds (distance) C4'-P energy: -90.442 bonds (distance) P-C4' energy: -73.999 flat angles C4'-P-C4' energy: -100.045 flat angles P-C4'-P energy: -69.355 tors. eta vs tors. theta energy: -131.863 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: 6 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1434.069836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.069836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.069836 (E_RNA) where: Base-Base interactions energy: -988.398 where: short stacking energy: -398.350 Base-Backbone interact. energy: -0.372 local terms energy: -445.299711 where: bonds (distance) C4'-P energy: -88.614 bonds (distance) P-C4' energy: -88.443 flat angles C4'-P-C4' energy: -86.313 flat angles P-C4'-P energy: -69.161 tors. eta vs tors. theta energy: -112.769 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: 450 Temperature: 1.200000 Total energy: -1359.001491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.001491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.001491 (E_RNA) where: Base-Base interactions energy: -912.084 where: short stacking energy: -377.866 Base-Backbone interact. energy: -1.300 local terms energy: -445.618119 where: bonds (distance) C4'-P energy: -90.881 bonds (distance) P-C4' energy: -88.487 flat angles C4'-P-C4' energy: -92.958 flat angles P-C4'-P energy: -67.694 tors. eta vs tors. theta energy: -105.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1267.598962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.598962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.598962 (E_RNA) where: Base-Base interactions energy: -863.803 where: short stacking energy: -364.519 Base-Backbone interact. energy: 3.501 local terms energy: -407.296711 where: bonds (distance) C4'-P energy: -86.033 bonds (distance) P-C4' energy: -79.590 flat angles C4'-P-C4' energy: -87.013 flat angles P-C4'-P energy: -51.401 tors. eta vs tors. theta energy: -103.261 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: 10 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -1048.278640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.278640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.278640 (E_RNA) where: Base-Base interactions energy: -711.115 where: short stacking energy: -301.810 Base-Backbone interact. energy: -0.869 local terms energy: -336.294571 where: bonds (distance) C4'-P energy: -65.226 bonds (distance) P-C4' energy: -79.077 flat angles C4'-P-C4' energy: -74.443 flat angles P-C4'-P energy: -54.286 tors. eta vs tors. theta energy: -63.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -747.033768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.033768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.033768 (E_RNA) where: Base-Base interactions energy: -458.622 where: short stacking energy: -217.926 Base-Backbone interact. energy: -0.448 local terms energy: -287.964279 where: bonds (distance) C4'-P energy: -76.255 bonds (distance) P-C4' energy: -68.727 flat angles C4'-P-C4' energy: -58.881 flat angles P-C4'-P energy: -52.979 tors. eta vs tors. theta energy: -31.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1903.674254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.674254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.674254 (E_RNA) where: Base-Base interactions energy: -1360.487 where: short stacking energy: -536.591 Base-Backbone interact. energy: -1.938 local terms energy: -541.249632 where: bonds (distance) C4'-P energy: -90.711 bonds (distance) P-C4' energy: -86.543 flat angles C4'-P-C4' energy: -119.282 flat angles P-C4'-P energy: -82.500 tors. eta vs tors. theta energy: -162.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1806.886653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.886653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.886653 (E_RNA) where: Base-Base interactions energy: -1276.006 where: short stacking energy: -504.428 Base-Backbone interact. energy: -0.804 local terms energy: -530.076061 where: bonds (distance) C4'-P energy: -95.435 bonds (distance) P-C4' energy: -83.870 flat angles C4'-P-C4' energy: -116.578 flat angles P-C4'-P energy: -79.438 tors. eta vs tors. theta energy: -154.755 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: 3, replica: 8 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1747.978881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.978881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.978881 (E_RNA) where: Base-Base interactions energy: -1234.579 where: short stacking energy: -498.402 Base-Backbone interact. energy: -1.382 local terms energy: -512.017659 where: bonds (distance) C4'-P energy: -89.707 bonds (distance) P-C4' energy: -99.608 flat angles C4'-P-C4' energy: -102.966 flat angles P-C4'-P energy: -69.572 tors. eta vs tors. theta energy: -150.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1659.252427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.252427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.252427 (E_RNA) where: Base-Base interactions energy: -1158.099 where: short stacking energy: -466.572 Base-Backbone interact. energy: -0.239 local terms energy: -500.914094 where: bonds (distance) C4'-P energy: -93.825 bonds (distance) P-C4' energy: -90.983 flat angles C4'-P-C4' energy: -102.670 flat angles P-C4'-P energy: -70.224 tors. eta vs tors. theta energy: -143.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1583.850804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.850804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.850804 (E_RNA) where: Base-Base interactions energy: -1117.600 where: short stacking energy: -465.605 Base-Backbone interact. energy: 2.958 local terms energy: -469.208254 where: bonds (distance) C4'-P energy: -88.185 bonds (distance) P-C4' energy: -72.477 flat angles C4'-P-C4' energy: -101.310 flat angles P-C4'-P energy: -71.084 tors. eta vs tors. theta energy: -136.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1456.836540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.836540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.836540 (E_RNA) where: Base-Base interactions energy: -1012.379 where: short stacking energy: -419.518 Base-Backbone interact. energy: 0.831 local terms energy: -445.288306 where: bonds (distance) C4'-P energy: -82.708 bonds (distance) P-C4' energy: -84.472 flat angles C4'-P-C4' energy: -92.640 flat angles P-C4'-P energy: -56.670 tors. eta vs tors. theta energy: -128.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1331.852225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.852225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.852225 (E_RNA) where: Base-Base interactions energy: -898.778 where: short stacking energy: -367.715 Base-Backbone interact. energy: 1.461 local terms energy: -434.534982 where: bonds (distance) C4'-P energy: -89.217 bonds (distance) P-C4' energy: -91.990 flat angles C4'-P-C4' energy: -92.767 flat angles P-C4'-P energy: -53.842 tors. eta vs tors. theta energy: -106.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1290.776850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.776850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.776850 (E_RNA) where: Base-Base interactions energy: -878.668 where: short stacking energy: -376.016 Base-Backbone interact. energy: -0.672 local terms energy: -411.436497 where: bonds (distance) C4'-P energy: -81.058 bonds (distance) P-C4' energy: -79.844 flat angles C4'-P-C4' energy: -91.279 flat angles P-C4'-P energy: -59.372 tors. eta vs tors. theta energy: -99.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -1085.672784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.672784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.672784 (E_RNA) where: Base-Base interactions energy: -736.898 where: short stacking energy: -317.222 Base-Backbone interact. energy: 4.525 local terms energy: -353.300732 where: bonds (distance) C4'-P energy: -70.333 bonds (distance) P-C4' energy: -66.764 flat angles C4'-P-C4' energy: -90.499 flat angles P-C4'-P energy: -50.454 tors. eta vs tors. theta energy: -75.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -755.365266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.365266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.365266 (E_RNA) where: Base-Base interactions energy: -475.067 where: short stacking energy: -192.330 Base-Backbone interact. energy: 3.772 local terms energy: -284.070416 where: bonds (distance) C4'-P energy: -81.060 bonds (distance) P-C4' energy: -79.305 flat angles C4'-P-C4' energy: -71.136 flat angles P-C4'-P energy: -42.093 tors. eta vs tors. theta energy: -10.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1929.234865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.234865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.234865 (E_RNA) where: Base-Base interactions energy: -1368.812 where: short stacking energy: -550.342 Base-Backbone interact. energy: 1.284 local terms energy: -561.706783 where: bonds (distance) C4'-P energy: -91.477 bonds (distance) P-C4' energy: -101.939 flat angles C4'-P-C4' energy: -113.558 flat angles P-C4'-P energy: -88.499 tors. eta vs tors. theta energy: -166.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1813.348506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.348506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.348506 (E_RNA) where: Base-Base interactions energy: -1281.995 where: short stacking energy: -523.410 Base-Backbone interact. energy: -1.776 local terms energy: -529.576821 where: bonds (distance) C4'-P energy: -94.858 bonds (distance) P-C4' energy: -85.249 flat angles C4'-P-C4' energy: -109.069 flat angles P-C4'-P energy: -72.981 tors. eta vs tors. theta energy: -167.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1741.821213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.821213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.821213 (E_RNA) where: Base-Base interactions energy: -1221.783 where: short stacking energy: -471.263 Base-Backbone interact. energy: -0.811 local terms energy: -519.228086 where: bonds (distance) C4'-P energy: -87.398 bonds (distance) P-C4' energy: -101.859 flat angles C4'-P-C4' energy: -104.129 flat angles P-C4'-P energy: -76.745 tors. eta vs tors. theta energy: -149.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1650.584451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.584451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.584451 (E_RNA) where: Base-Base interactions energy: -1154.466 where: short stacking energy: -481.586 Base-Backbone interact. energy: -3.646 local terms energy: -492.471895 where: bonds (distance) C4'-P energy: -80.408 bonds (distance) P-C4' energy: -84.188 flat angles C4'-P-C4' energy: -106.952 flat angles P-C4'-P energy: -67.574 tors. eta vs tors. theta energy: -153.350 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: 4 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1590.898858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.898858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.898858 (E_RNA) where: Base-Base interactions energy: -1116.755 where: short stacking energy: -474.174 Base-Backbone interact. energy: 1.023 local terms energy: -475.167293 where: bonds (distance) C4'-P energy: -78.272 bonds (distance) P-C4' energy: -85.766 flat angles C4'-P-C4' energy: -100.374 flat angles P-C4'-P energy: -54.290 tors. eta vs tors. theta energy: -156.464 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: 6 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1440.122510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.122510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.122510 (E_RNA) where: Base-Base interactions energy: -1025.808 where: short stacking energy: -424.736 Base-Backbone interact. energy: -0.728 local terms energy: -413.585901 where: bonds (distance) C4'-P energy: -75.339 bonds (distance) P-C4' energy: -88.885 flat angles C4'-P-C4' energy: -75.249 flat angles P-C4'-P energy: -57.893 tors. eta vs tors. theta energy: -116.220 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: 1 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1395.922604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.922604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.922604 (E_RNA) where: Base-Base interactions energy: -952.098 where: short stacking energy: -406.226 Base-Backbone interact. energy: -2.502 local terms energy: -441.323127 where: bonds (distance) C4'-P energy: -88.474 bonds (distance) P-C4' energy: -77.601 flat angles C4'-P-C4' energy: -95.746 flat angles P-C4'-P energy: -69.024 tors. eta vs tors. theta energy: -110.478 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: 5 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -1277.232622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.232622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.232622 (E_RNA) where: Base-Base interactions energy: -861.413 where: short stacking energy: -363.282 Base-Backbone interact. energy: -1.380 local terms energy: -414.439801 where: bonds (distance) C4'-P energy: -78.557 bonds (distance) P-C4' energy: -93.483 flat angles C4'-P-C4' energy: -86.882 flat angles P-C4'-P energy: -57.072 tors. eta vs tors. theta energy: -98.445 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: 452 Temperature: 1.300000 Total energy: -1088.783664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.783664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.783664 (E_RNA) where: Base-Base interactions energy: -710.027 where: short stacking energy: -297.975 Base-Backbone interact. energy: -1.164 local terms energy: -377.592828 where: bonds (distance) C4'-P energy: -74.490 bonds (distance) P-C4' energy: -87.126 flat angles C4'-P-C4' energy: -93.464 flat angles P-C4'-P energy: -52.224 tors. eta vs tors. theta energy: -70.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -819.380451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.380451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.380451 (E_RNA) where: Base-Base interactions energy: -487.579 where: short stacking energy: -204.824 Base-Backbone interact. energy: 1.031 local terms energy: -332.832745 where: bonds (distance) C4'-P energy: -83.557 bonds (distance) P-C4' energy: -79.534 flat angles C4'-P-C4' energy: -81.798 flat angles P-C4'-P energy: -55.603 tors. eta vs tors. theta energy: -32.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1918.579973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.579973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.579973 (E_RNA) where: Base-Base interactions energy: -1351.030 where: short stacking energy: -545.812 Base-Backbone interact. energy: -1.280 local terms energy: -566.270535 where: bonds (distance) C4'-P energy: -93.599 bonds (distance) P-C4' energy: -98.950 flat angles C4'-P-C4' energy: -114.349 flat angles P-C4'-P energy: -92.086 tors. eta vs tors. theta energy: -167.286 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: 3 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1812.944782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.944782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.944782 (E_RNA) where: Base-Base interactions energy: -1281.886 where: short stacking energy: -513.564 Base-Backbone interact. energy: 1.446 local terms energy: -532.505711 where: bonds (distance) C4'-P energy: -96.350 bonds (distance) P-C4' energy: -89.739 flat angles C4'-P-C4' energy: -115.285 flat angles P-C4'-P energy: -72.037 tors. eta vs tors. theta energy: -159.095 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: 8 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1737.089813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.089813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.089813 (E_RNA) where: Base-Base interactions energy: -1229.572 where: short stacking energy: -495.466 Base-Backbone interact. energy: -0.723 local terms energy: -506.794437 where: bonds (distance) C4'-P energy: -84.258 bonds (distance) P-C4' energy: -75.040 flat angles C4'-P-C4' energy: -116.171 flat angles P-C4'-P energy: -70.578 tors. eta vs tors. theta energy: -160.747 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: 4, replica: 4 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -1623.192352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.192352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.192352 (E_RNA) where: Base-Base interactions energy: -1107.903 where: short stacking energy: -479.623 Base-Backbone interact. energy: 0.789 local terms energy: -516.078558 where: bonds (distance) C4'-P energy: -103.680 bonds (distance) P-C4' energy: -85.786 flat angles C4'-P-C4' energy: -108.791 flat angles P-C4'-P energy: -67.592 tors. eta vs tors. theta energy: -150.230 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: 7 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1571.518984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.518984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.518984 (E_RNA) where: Base-Base interactions energy: -1106.115 where: short stacking energy: -441.700 Base-Backbone interact. energy: -0.477 local terms energy: -464.926950 where: bonds (distance) C4'-P energy: -71.580 bonds (distance) P-C4' energy: -90.882 flat angles C4'-P-C4' energy: -95.586 flat angles P-C4'-P energy: -75.888 tors. eta vs tors. theta energy: -130.991 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: 6 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1469.192409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.192409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.192409 (E_RNA) where: Base-Base interactions energy: -1026.260 where: short stacking energy: -428.509 Base-Backbone interact. energy: -0.209 local terms energy: -442.722544 where: bonds (distance) C4'-P energy: -85.639 bonds (distance) P-C4' energy: -81.704 flat angles C4'-P-C4' energy: -90.265 flat angles P-C4'-P energy: -57.805 tors. eta vs tors. theta energy: -127.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1378.162077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.162077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.162077 (E_RNA) where: Base-Base interactions energy: -947.049 where: short stacking energy: -404.313 Base-Backbone interact. energy: -1.065 local terms energy: -430.047857 where: bonds (distance) C4'-P energy: -80.304 bonds (distance) P-C4' energy: -85.755 flat angles C4'-P-C4' energy: -95.623 flat angles P-C4'-P energy: -55.956 tors. eta vs tors. theta energy: -112.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1298.071345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.071345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.071345 (E_RNA) where: Base-Base interactions energy: -864.463 where: short stacking energy: -375.797 Base-Backbone interact. energy: 2.951 local terms energy: -436.558759 where: bonds (distance) C4'-P energy: -84.165 bonds (distance) P-C4' energy: -82.587 flat angles C4'-P-C4' energy: -96.897 flat angles P-C4'-P energy: -65.797 tors. eta vs tors. theta energy: -107.112 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: 10 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -1099.570516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.570516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.570516 (E_RNA) where: Base-Base interactions energy: -743.679 where: short stacking energy: -308.828 Base-Backbone interact. energy: -1.037 local terms energy: -354.854251 where: bonds (distance) C4'-P energy: -75.759 bonds (distance) P-C4' energy: -78.632 flat angles C4'-P-C4' energy: -83.170 flat angles P-C4'-P energy: -53.503 tors. eta vs tors. theta energy: -63.790 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: 9 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -767.837436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.837436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.837436 (E_RNA) where: Base-Base interactions energy: -449.417 where: short stacking energy: -219.185 Base-Backbone interact. energy: -2.979 local terms energy: -315.442157 where: bonds (distance) C4'-P energy: -76.790 bonds (distance) P-C4' energy: -88.434 flat angles C4'-P-C4' energy: -70.242 flat angles P-C4'-P energy: -44.332 tors. eta vs tors. theta energy: -35.644 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: 454 Temperature: 0.900000 Total energy: -1897.915530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.915530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.915530 (E_RNA) where: Base-Base interactions energy: -1356.432 where: short stacking energy: -540.583 Base-Backbone interact. energy: -0.582 local terms energy: -540.901119 where: bonds (distance) C4'-P energy: -92.699 bonds (distance) P-C4' energy: -99.294 flat angles C4'-P-C4' energy: -99.475 flat angles P-C4'-P energy: -84.672 tors. eta vs tors. theta energy: -164.761 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: 2, replica: 3 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1800.710045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.710045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.710045 (E_RNA) where: Base-Base interactions energy: -1266.659 where: short stacking energy: -502.071 Base-Backbone interact. energy: 0.026 local terms energy: -534.076742 where: bonds (distance) C4'-P energy: -89.208 bonds (distance) P-C4' energy: -99.111 flat angles C4'-P-C4' energy: -114.170 flat angles P-C4'-P energy: -79.555 tors. eta vs tors. theta energy: -152.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1743.447011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.447011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.447011 (E_RNA) where: Base-Base interactions energy: -1226.254 where: short stacking energy: -489.124 Base-Backbone interact. energy: -1.250 local terms energy: -515.942748 where: bonds (distance) C4'-P energy: -88.036 bonds (distance) P-C4' energy: -91.490 flat angles C4'-P-C4' energy: -105.452 flat angles P-C4'-P energy: -77.593 tors. eta vs tors. theta energy: -153.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -1646.716668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.716668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.716668 (E_RNA) where: Base-Base interactions energy: -1161.315 where: short stacking energy: -474.754 Base-Backbone interact. energy: -1.052 local terms energy: -484.349702 where: bonds (distance) C4'-P energy: -72.643 bonds (distance) P-C4' energy: -83.980 flat angles C4'-P-C4' energy: -103.598 flat angles P-C4'-P energy: -68.813 tors. eta vs tors. theta energy: -155.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1561.929950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.929950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.929950 (E_RNA) where: Base-Base interactions energy: -1090.103 where: short stacking energy: -432.643 Base-Backbone interact. energy: -2.507 local terms energy: -469.319968 where: bonds (distance) C4'-P energy: -90.542 bonds (distance) P-C4' energy: -93.178 flat angles C4'-P-C4' energy: -86.301 flat angles P-C4'-P energy: -71.665 tors. eta vs tors. theta energy: -127.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1476.293607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.293607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.293607 (E_RNA) where: Base-Base interactions energy: -1020.763 where: short stacking energy: -416.178 Base-Backbone interact. energy: -0.805 local terms energy: -454.725988 where: bonds (distance) C4'-P energy: -82.439 bonds (distance) P-C4' energy: -89.718 flat angles C4'-P-C4' energy: -106.637 flat angles P-C4'-P energy: -55.833 tors. eta vs tors. theta energy: -120.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1396.092077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.092077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.092077 (E_RNA) where: Base-Base interactions energy: -947.897 where: short stacking energy: -389.507 Base-Backbone interact. energy: -1.046 local terms energy: -447.148417 where: bonds (distance) C4'-P energy: -81.426 bonds (distance) P-C4' energy: -91.226 flat angles C4'-P-C4' energy: -96.558 flat angles P-C4'-P energy: -62.977 tors. eta vs tors. theta energy: -114.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1275.770241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.770241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.770241 (E_RNA) where: Base-Base interactions energy: -851.416 where: short stacking energy: -355.796 Base-Backbone interact. energy: 0.766 local terms energy: -425.120663 where: bonds (distance) C4'-P energy: -89.157 bonds (distance) P-C4' energy: -86.129 flat angles C4'-P-C4' energy: -89.638 flat angles P-C4'-P energy: -61.310 tors. eta vs tors. theta energy: -98.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -1064.296295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.296295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.296295 (E_RNA) where: Base-Base interactions energy: -689.929 where: short stacking energy: -286.924 Base-Backbone interact. energy: -1.220 local terms energy: -373.147871 where: bonds (distance) C4'-P energy: -82.957 bonds (distance) P-C4' energy: -88.859 flat angles C4'-P-C4' energy: -71.892 flat angles P-C4'-P energy: -61.464 tors. eta vs tors. theta energy: -67.975 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: 10, replica: 9 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -759.350888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.350888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.350888 (E_RNA) where: Base-Base interactions energy: -468.109 where: short stacking energy: -190.668 Base-Backbone interact. energy: 9.609 local terms energy: -300.851097 where: bonds (distance) C4'-P energy: -75.105 bonds (distance) P-C4' energy: -77.133 flat angles C4'-P-C4' energy: -71.347 flat angles P-C4'-P energy: -58.829 tors. eta vs tors. theta energy: -18.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1929.514087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.514087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.514087 (E_RNA) where: Base-Base interactions energy: -1362.333 where: short stacking energy: -536.585 Base-Backbone interact. energy: 1.500 local terms energy: -568.681494 where: bonds (distance) C4'-P energy: -94.850 bonds (distance) P-C4' energy: -100.906 flat angles C4'-P-C4' energy: -122.157 flat angles P-C4'-P energy: -85.883 tors. eta vs tors. theta energy: -164.884 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: 8 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1792.359527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.359527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.359527 (E_RNA) where: Base-Base interactions energy: -1239.256 where: short stacking energy: -498.594 Base-Backbone interact. energy: -1.090 local terms energy: -552.013456 where: bonds (distance) C4'-P energy: -99.788 bonds (distance) P-C4' energy: -105.272 flat angles C4'-P-C4' energy: -112.219 flat angles P-C4'-P energy: -74.285 tors. eta vs tors. theta energy: -160.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1762.709997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.709997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.709997 (E_RNA) where: Base-Base interactions energy: -1259.770 where: short stacking energy: -504.982 Base-Backbone interact. energy: -1.054 local terms energy: -501.886369 where: bonds (distance) C4'-P energy: -86.102 bonds (distance) P-C4' energy: -88.797 flat angles C4'-P-C4' energy: -102.493 flat angles P-C4'-P energy: -68.940 tors. eta vs tors. theta energy: -155.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -1625.899831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.899831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.899831 (E_RNA) where: Base-Base interactions energy: -1132.474 where: short stacking energy: -473.583 Base-Backbone interact. energy: -0.619 local terms energy: -492.806267 where: bonds (distance) C4'-P energy: -89.103 bonds (distance) P-C4' energy: -84.015 flat angles C4'-P-C4' energy: -109.786 flat angles P-C4'-P energy: -66.060 tors. eta vs tors. theta energy: -143.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1578.298801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.298801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.298801 (E_RNA) where: Base-Base interactions energy: -1109.163 where: short stacking energy: -433.074 Base-Backbone interact. energy: 1.669 local terms energy: -470.805218 where: bonds (distance) C4'-P energy: -87.644 bonds (distance) P-C4' energy: -90.601 flat angles C4'-P-C4' energy: -106.165 flat angles P-C4'-P energy: -55.880 tors. eta vs tors. theta energy: -130.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1466.340717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.340717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.340717 (E_RNA) where: Base-Base interactions energy: -1013.871 where: short stacking energy: -408.018 Base-Backbone interact. energy: 4.097 local terms energy: -456.566062 where: bonds (distance) C4'-P energy: -83.351 bonds (distance) P-C4' energy: -86.883 flat angles C4'-P-C4' energy: -103.293 flat angles P-C4'-P energy: -67.204 tors. eta vs tors. theta energy: -115.836 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: 7, replica: 1 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1407.432201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.432201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.432201 (E_RNA) where: Base-Base interactions energy: -964.175 where: short stacking energy: -396.175 Base-Backbone interact. energy: 3.077 local terms energy: -446.334030 where: bonds (distance) C4'-P energy: -79.311 bonds (distance) P-C4' energy: -93.392 flat angles C4'-P-C4' energy: -101.185 flat angles P-C4'-P energy: -57.582 tors. eta vs tors. theta energy: -114.864 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: 5 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1298.457178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.457178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.457178 (E_RNA) where: Base-Base interactions energy: -893.106 where: short stacking energy: -359.383 Base-Backbone interact. energy: 1.200 local terms energy: -406.551035 where: bonds (distance) C4'-P energy: -75.693 bonds (distance) P-C4' energy: -85.646 flat angles C4'-P-C4' energy: -86.826 flat angles P-C4'-P energy: -61.182 tors. eta vs tors. theta energy: -97.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -1072.958668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.958668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.958668 (E_RNA) where: Base-Base interactions energy: -706.257 where: short stacking energy: -285.792 Base-Backbone interact. energy: 0.664 local terms energy: -367.365735 where: bonds (distance) C4'-P energy: -86.166 bonds (distance) P-C4' energy: -76.523 flat angles C4'-P-C4' energy: -81.565 flat angles P-C4'-P energy: -60.419 tors. eta vs tors. theta energy: -62.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -757.889633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.889633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.889633 (E_RNA) where: Base-Base interactions energy: -434.636 where: short stacking energy: -195.485 Base-Backbone interact. energy: -2.213 local terms energy: -321.040808 where: bonds (distance) C4'-P energy: -86.451 bonds (distance) P-C4' energy: -84.955 flat angles C4'-P-C4' energy: -65.735 flat angles P-C4'-P energy: -52.383 tors. eta vs tors. theta energy: -31.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1908.347746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.347746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.347746 (E_RNA) where: Base-Base interactions energy: -1346.403 where: short stacking energy: -545.981 Base-Backbone interact. energy: -0.486 local terms energy: -561.458941 where: bonds (distance) C4'-P energy: -104.816 bonds (distance) P-C4' energy: -99.692 flat angles C4'-P-C4' energy: -117.829 flat angles P-C4'-P energy: -73.704 tors. eta vs tors. theta energy: -165.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1796.430467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.430467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.430467 (E_RNA) where: Base-Base interactions energy: -1270.821 where: short stacking energy: -517.908 Base-Backbone interact. energy: 0.305 local terms energy: -525.914517 where: bonds (distance) C4'-P energy: -93.674 bonds (distance) P-C4' energy: -86.103 flat angles C4'-P-C4' energy: -118.518 flat angles P-C4'-P energy: -71.506 tors. eta vs tors. theta energy: -156.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1773.331012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.331012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.331012 (E_RNA) where: Base-Base interactions energy: -1264.045 where: short stacking energy: -515.425 Base-Backbone interact. energy: -0.129 local terms energy: -509.157636 where: bonds (distance) C4'-P energy: -80.522 bonds (distance) P-C4' energy: -91.172 flat angles C4'-P-C4' energy: -99.571 flat angles P-C4'-P energy: -73.644 tors. eta vs tors. theta energy: -164.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1625.839075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.839075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.839075 (E_RNA) where: Base-Base interactions energy: -1125.714 where: short stacking energy: -469.811 Base-Backbone interact. energy: -1.765 local terms energy: -498.360057 where: bonds (distance) C4'-P energy: -91.099 bonds (distance) P-C4' energy: -80.123 flat angles C4'-P-C4' energy: -118.134 flat angles P-C4'-P energy: -61.315 tors. eta vs tors. theta energy: -147.688 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: 5, replica: 7 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -1533.987734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.987734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.987734 (E_RNA) where: Base-Base interactions energy: -1077.702 where: short stacking energy: -447.400 Base-Backbone interact. energy: -1.779 local terms energy: -454.507048 where: bonds (distance) C4'-P energy: -73.478 bonds (distance) P-C4' energy: -86.321 flat angles C4'-P-C4' energy: -104.619 flat angles P-C4'-P energy: -56.320 tors. eta vs tors. theta energy: -133.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1446.584770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.584770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.584770 (E_RNA) where: Base-Base interactions energy: -976.515 where: short stacking energy: -390.004 Base-Backbone interact. energy: -1.335 local terms energy: -468.734414 where: bonds (distance) C4'-P energy: -86.426 bonds (distance) P-C4' energy: -85.141 flat angles C4'-P-C4' energy: -99.889 flat angles P-C4'-P energy: -79.364 tors. eta vs tors. theta energy: -117.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1399.060454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.060454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.060454 (E_RNA) where: Base-Base interactions energy: -950.566 where: short stacking energy: -402.075 Base-Backbone interact. energy: -0.919 local terms energy: -447.574911 where: bonds (distance) C4'-P energy: -88.591 bonds (distance) P-C4' energy: -89.018 flat angles C4'-P-C4' energy: -96.545 flat angles P-C4'-P energy: -56.367 tors. eta vs tors. theta energy: -117.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1263.046676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.046676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.046676 (E_RNA) where: Base-Base interactions energy: -829.076 where: short stacking energy: -353.604 Base-Backbone interact. energy: -1.094 local terms energy: -432.877175 where: bonds (distance) C4'-P energy: -82.274 bonds (distance) P-C4' energy: -84.401 flat angles C4'-P-C4' energy: -91.515 flat angles P-C4'-P energy: -66.138 tors. eta vs tors. theta energy: -108.550 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: 9, replica: 10 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -1047.358793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.358793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.358793 (E_RNA) where: Base-Base interactions energy: -708.911 where: short stacking energy: -280.302 Base-Backbone interact. energy: -1.528 local terms energy: -336.919846 where: bonds (distance) C4'-P energy: -63.644 bonds (distance) P-C4' energy: -75.511 flat angles C4'-P-C4' energy: -78.844 flat angles P-C4'-P energy: -54.157 tors. eta vs tors. theta energy: -64.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -797.957723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.957723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.957723 (E_RNA) where: Base-Base interactions energy: -490.095 where: short stacking energy: -220.607 Base-Backbone interact. energy: -1.388 local terms energy: -306.473993 where: bonds (distance) C4'-P energy: -66.565 bonds (distance) P-C4' energy: -79.850 flat angles C4'-P-C4' energy: -81.552 flat angles P-C4'-P energy: -42.810 tors. eta vs tors. theta energy: -35.698 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: 457 Temperature: 0.900000 Total energy: -1895.060697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.060697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.060697 (E_RNA) where: Base-Base interactions energy: -1348.672 where: short stacking energy: -541.704 Base-Backbone interact. energy: -0.629 local terms energy: -545.759200 where: bonds (distance) C4'-P energy: -87.801 bonds (distance) P-C4' energy: -100.891 flat angles C4'-P-C4' energy: -112.929 flat angles P-C4'-P energy: -80.492 tors. eta vs tors. theta energy: -163.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1794.160825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.160825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.160825 (E_RNA) where: Base-Base interactions energy: -1272.016 where: short stacking energy: -503.257 Base-Backbone interact. energy: -1.101 local terms energy: -521.042921 where: bonds (distance) C4'-P energy: -91.355 bonds (distance) P-C4' energy: -85.424 flat angles C4'-P-C4' energy: -111.316 flat angles P-C4'-P energy: -71.035 tors. eta vs tors. theta energy: -161.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1789.043397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.043397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.043397 (E_RNA) where: Base-Base interactions energy: -1264.654 where: short stacking energy: -491.880 Base-Backbone interact. energy: -0.757 local terms energy: -523.632096 where: bonds (distance) C4'-P energy: -77.467 bonds (distance) P-C4' energy: -101.505 flat angles C4'-P-C4' energy: -107.961 flat angles P-C4'-P energy: -80.434 tors. eta vs tors. theta energy: -156.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -1623.497909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.497909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.497909 (E_RNA) where: Base-Base interactions energy: -1125.582 where: short stacking energy: -451.208 Base-Backbone interact. energy: -2.236 local terms energy: -495.679895 where: bonds (distance) C4'-P energy: -86.116 bonds (distance) P-C4' energy: -83.040 flat angles C4'-P-C4' energy: -111.435 flat angles P-C4'-P energy: -72.707 tors. eta vs tors. theta energy: -142.382 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: 7 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1599.565918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.565918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.565918 (E_RNA) where: Base-Base interactions energy: -1106.982 where: short stacking energy: -455.756 Base-Backbone interact. energy: 1.128 local terms energy: -493.712074 where: bonds (distance) C4'-P energy: -93.377 bonds (distance) P-C4' energy: -93.997 flat angles C4'-P-C4' energy: -98.699 flat angles P-C4'-P energy: -69.582 tors. eta vs tors. theta energy: -138.057 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: 1 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1423.790506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.790506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.790506 (E_RNA) where: Base-Base interactions energy: -970.055 where: short stacking energy: -415.140 Base-Backbone interact. energy: -0.719 local terms energy: -453.016747 where: bonds (distance) C4'-P energy: -91.307 bonds (distance) P-C4' energy: -78.611 flat angles C4'-P-C4' energy: -87.623 flat angles P-C4'-P energy: -73.327 tors. eta vs tors. theta energy: -122.148 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: 7, replica: 6 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1395.876070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.876070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.876070 (E_RNA) where: Base-Base interactions energy: -998.459 where: short stacking energy: -409.688 Base-Backbone interact. energy: 2.803 local terms energy: -400.220810 where: bonds (distance) C4'-P energy: -67.900 bonds (distance) P-C4' energy: -71.116 flat angles C4'-P-C4' energy: -88.982 flat angles P-C4'-P energy: -59.932 tors. eta vs tors. theta energy: -112.290 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: 8, replica: 5 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1256.748771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.748771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.748771 (E_RNA) where: Base-Base interactions energy: -873.129 where: short stacking energy: -376.536 Base-Backbone interact. energy: -0.624 local terms energy: -382.995614 where: bonds (distance) C4'-P energy: -61.415 bonds (distance) P-C4' energy: -67.301 flat angles C4'-P-C4' energy: -92.875 flat angles P-C4'-P energy: -49.026 tors. eta vs tors. theta energy: -112.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -1061.683195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.683195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.683195 (E_RNA) where: Base-Base interactions energy: -704.925 where: short stacking energy: -289.337 Base-Backbone interact. energy: -2.748 local terms energy: -354.010295 where: bonds (distance) C4'-P energy: -65.194 bonds (distance) P-C4' energy: -74.601 flat angles C4'-P-C4' energy: -85.907 flat angles P-C4'-P energy: -59.195 tors. eta vs tors. theta energy: -69.114 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: 10, replica: 9 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -844.046182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.046182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.046182 (E_RNA) where: Base-Base interactions energy: -491.585 where: short stacking energy: -227.078 Base-Backbone interact. energy: 1.125 local terms energy: -353.585769 where: bonds (distance) C4'-P energy: -85.272 bonds (distance) P-C4' energy: -82.386 flat angles C4'-P-C4' energy: -73.288 flat angles P-C4'-P energy: -63.815 tors. eta vs tors. theta energy: -48.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1923.584034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.584034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.584034 (E_RNA) where: Base-Base interactions energy: -1370.726 where: short stacking energy: -562.819 Base-Backbone interact. energy: -1.776 local terms energy: -551.081688 where: bonds (distance) C4'-P energy: -94.036 bonds (distance) P-C4' energy: -98.652 flat angles C4'-P-C4' energy: -116.689 flat angles P-C4'-P energy: -77.252 tors. eta vs tors. theta energy: -164.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1797.457794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.457794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.457794 (E_RNA) where: Base-Base interactions energy: -1267.536 where: short stacking energy: -503.286 Base-Backbone interact. energy: -1.240 local terms energy: -528.681940 where: bonds (distance) C4'-P energy: -82.891 bonds (distance) P-C4' energy: -102.917 flat angles C4'-P-C4' energy: -112.289 flat angles P-C4'-P energy: -74.465 tors. eta vs tors. theta energy: -156.119 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: 458 Temperature: 1.000000 Total energy: -1773.340186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.340186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.340186 (E_RNA) where: Base-Base interactions energy: -1241.985 where: short stacking energy: -506.670 Base-Backbone interact. energy: 0.131 local terms energy: -531.485826 where: bonds (distance) C4'-P energy: -82.939 bonds (distance) P-C4' energy: -88.186 flat angles C4'-P-C4' energy: -114.025 flat angles P-C4'-P energy: -84.712 tors. eta vs tors. theta energy: -161.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -1640.597155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.597155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.597155 (E_RNA) where: Base-Base interactions energy: -1118.930 where: short stacking energy: -471.291 Base-Backbone interact. energy: -1.195 local terms energy: -520.471778 where: bonds (distance) C4'-P energy: -91.316 bonds (distance) P-C4' energy: -95.230 flat angles C4'-P-C4' energy: -106.893 flat angles P-C4'-P energy: -76.462 tors. eta vs tors. theta energy: -150.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1582.551773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.551773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.551773 (E_RNA) where: Base-Base interactions energy: -1105.303 where: short stacking energy: -432.666 Base-Backbone interact. energy: 1.537 local terms energy: -478.785901 where: bonds (distance) C4'-P energy: -81.435 bonds (distance) P-C4' energy: -88.687 flat angles C4'-P-C4' energy: -102.831 flat angles P-C4'-P energy: -68.002 tors. eta vs tors. theta energy: -137.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1438.799235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.799235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.799235 (E_RNA) where: Base-Base interactions energy: -981.876 where: short stacking energy: -408.698 Base-Backbone interact. energy: -0.958 local terms energy: -455.965656 where: bonds (distance) C4'-P energy: -84.641 bonds (distance) P-C4' energy: -85.225 flat angles C4'-P-C4' energy: -102.046 flat angles P-C4'-P energy: -61.176 tors. eta vs tors. theta energy: -122.878 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: 6 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1370.300267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.300267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.300267 (E_RNA) where: Base-Base interactions energy: -956.770 where: short stacking energy: -402.260 Base-Backbone interact. energy: 0.497 local terms energy: -414.026443 where: bonds (distance) C4'-P energy: -88.282 bonds (distance) P-C4' energy: -65.492 flat angles C4'-P-C4' energy: -98.528 flat angles P-C4'-P energy: -52.694 tors. eta vs tors. theta energy: -109.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1255.978474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.978474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.978474 (E_RNA) where: Base-Base interactions energy: -840.554 where: short stacking energy: -358.715 Base-Backbone interact. energy: -0.584 local terms energy: -414.839850 where: bonds (distance) C4'-P energy: -82.595 bonds (distance) P-C4' energy: -84.212 flat angles C4'-P-C4' energy: -90.390 flat angles P-C4'-P energy: -53.752 tors. eta vs tors. theta energy: -103.891 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: 458 Temperature: 1.300000 Total energy: -1052.511750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.511750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.511750 (E_RNA) where: Base-Base interactions energy: -688.587 where: short stacking energy: -290.037 Base-Backbone interact. energy: 0.556 local terms energy: -364.480366 where: bonds (distance) C4'-P energy: -89.632 bonds (distance) P-C4' energy: -69.609 flat angles C4'-P-C4' energy: -89.076 flat angles P-C4'-P energy: -51.216 tors. eta vs tors. theta energy: -64.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -796.225370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.225370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.225370 (E_RNA) where: Base-Base interactions energy: -510.970 where: short stacking energy: -232.255 Base-Backbone interact. energy: -2.369 local terms energy: -282.886094 where: bonds (distance) C4'-P energy: -76.908 bonds (distance) P-C4' energy: -74.077 flat angles C4'-P-C4' energy: -66.354 flat angles P-C4'-P energy: -24.093 tors. eta vs tors. theta energy: -41.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1917.352959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.352959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.352959 (E_RNA) where: Base-Base interactions energy: -1364.793 where: short stacking energy: -541.046 Base-Backbone interact. energy: -0.809 local terms energy: -551.751432 where: bonds (distance) C4'-P energy: -87.727 bonds (distance) P-C4' energy: -95.727 flat angles C4'-P-C4' energy: -121.286 flat angles P-C4'-P energy: -81.276 tors. eta vs tors. theta energy: -165.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1792.512964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.512964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.512964 (E_RNA) where: Base-Base interactions energy: -1289.328 where: short stacking energy: -526.037 Base-Backbone interact. energy: -0.582 local terms energy: -502.603221 where: bonds (distance) C4'-P energy: -83.821 bonds (distance) P-C4' energy: -96.941 flat angles C4'-P-C4' energy: -96.766 flat angles P-C4'-P energy: -65.892 tors. eta vs tors. theta energy: -159.183 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: 8 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1758.142632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.142632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.142632 (E_RNA) where: Base-Base interactions energy: -1233.252 where: short stacking energy: -510.720 Base-Backbone interact. energy: -0.233 local terms energy: -524.657881 where: bonds (distance) C4'-P energy: -95.325 bonds (distance) P-C4' energy: -86.725 flat angles C4'-P-C4' energy: -115.577 flat angles P-C4'-P energy: -71.850 tors. eta vs tors. theta energy: -155.180 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: 7 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1636.292118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.292118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.292118 (E_RNA) where: Base-Base interactions energy: -1145.067 where: short stacking energy: -469.661 Base-Backbone interact. energy: -1.463 local terms energy: -489.762928 where: bonds (distance) C4'-P energy: -83.654 bonds (distance) P-C4' energy: -73.434 flat angles C4'-P-C4' energy: -111.179 flat angles P-C4'-P energy: -74.784 tors. eta vs tors. theta energy: -146.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1610.317751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.317751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.317751 (E_RNA) where: Base-Base interactions energy: -1110.641 where: short stacking energy: -440.448 Base-Backbone interact. energy: -2.576 local terms energy: -497.100697 where: bonds (distance) C4'-P energy: -99.506 bonds (distance) P-C4' energy: -88.420 flat angles C4'-P-C4' energy: -109.579 flat angles P-C4'-P energy: -64.269 tors. eta vs tors. theta energy: -135.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1399.365133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.365133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.365133 (E_RNA) where: Base-Base interactions energy: -962.984 where: short stacking energy: -397.297 Base-Backbone interact. energy: -1.363 local terms energy: -435.018250 where: bonds (distance) C4'-P energy: -73.524 bonds (distance) P-C4' energy: -91.102 flat angles C4'-P-C4' energy: -103.050 flat angles P-C4'-P energy: -56.793 tors. eta vs tors. theta energy: -110.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1448.156394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.156394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.156394 (E_RNA) where: Base-Base interactions energy: -995.570 where: short stacking energy: -419.281 Base-Backbone interact. energy: 0.362 local terms energy: -452.948327 where: bonds (distance) C4'-P energy: -73.538 bonds (distance) P-C4' energy: -80.652 flat angles C4'-P-C4' energy: -100.391 flat angles P-C4'-P energy: -63.601 tors. eta vs tors. theta energy: -134.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1254.801381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.801381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.801381 (E_RNA) where: Base-Base interactions energy: -847.934 where: short stacking energy: -357.558 Base-Backbone interact. energy: 0.086 local terms energy: -406.953854 where: bonds (distance) C4'-P energy: -77.516 bonds (distance) P-C4' energy: -93.876 flat angles C4'-P-C4' energy: -84.577 flat angles P-C4'-P energy: -49.515 tors. eta vs tors. theta energy: -101.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -1087.743443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.743443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.743443 (E_RNA) where: Base-Base interactions energy: -716.697 where: short stacking energy: -305.003 Base-Backbone interact. energy: 2.677 local terms energy: -373.723542 where: bonds (distance) C4'-P energy: -77.024 bonds (distance) P-C4' energy: -81.882 flat angles C4'-P-C4' energy: -82.120 flat angles P-C4'-P energy: -62.653 tors. eta vs tors. theta energy: -70.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -799.391983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.391983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.391983 (E_RNA) where: Base-Base interactions energy: -482.175 where: short stacking energy: -242.158 Base-Backbone interact. energy: -1.015 local terms energy: -316.202041 where: bonds (distance) C4'-P energy: -69.743 bonds (distance) P-C4' energy: -79.421 flat angles C4'-P-C4' energy: -77.120 flat angles P-C4'-P energy: -37.949 tors. eta vs tors. theta energy: -51.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1922.583989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.583989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.583989 (E_RNA) where: Base-Base interactions energy: -1359.101 where: short stacking energy: -553.763 Base-Backbone interact. energy: 0.121 local terms energy: -563.604345 where: bonds (distance) C4'-P energy: -109.384 bonds (distance) P-C4' energy: -86.420 flat angles C4'-P-C4' energy: -126.860 flat angles P-C4'-P energy: -70.919 tors. eta vs tors. theta energy: -170.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1784.930738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.930738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.930738 (E_RNA) where: Base-Base interactions energy: -1252.368 where: short stacking energy: -511.927 Base-Backbone interact. energy: -3.408 local terms energy: -529.154807 where: bonds (distance) C4'-P energy: -91.088 bonds (distance) P-C4' energy: -101.556 flat angles C4'-P-C4' energy: -108.142 flat angles P-C4'-P energy: -73.259 tors. eta vs tors. theta energy: -155.111 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: 3, replica: 8 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1773.898867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.898867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.898867 (E_RNA) where: Base-Base interactions energy: -1241.951 where: short stacking energy: -506.048 Base-Backbone interact. energy: -1.802 local terms energy: -530.145326 where: bonds (distance) C4'-P energy: -79.478 bonds (distance) P-C4' energy: -94.703 flat angles C4'-P-C4' energy: -113.060 flat angles P-C4'-P energy: -80.717 tors. eta vs tors. theta energy: -162.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1661.530717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.530717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.530717 (E_RNA) where: Base-Base interactions energy: -1149.643 where: short stacking energy: -466.664 Base-Backbone interact. energy: -3.039 local terms energy: -508.847803 where: bonds (distance) C4'-P energy: -91.738 bonds (distance) P-C4' energy: -93.394 flat angles C4'-P-C4' energy: -104.845 flat angles P-C4'-P energy: -67.923 tors. eta vs tors. theta energy: -150.947 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: 4 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1594.373954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.373954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.373954 (E_RNA) where: Base-Base interactions energy: -1095.505 where: short stacking energy: -432.223 Base-Backbone interact. energy: 0.294 local terms energy: -499.162840 where: bonds (distance) C4'-P energy: -82.809 bonds (distance) P-C4' energy: -96.979 flat angles C4'-P-C4' energy: -104.180 flat angles P-C4'-P energy: -77.104 tors. eta vs tors. theta energy: -138.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1420.007003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.007003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.007003 (E_RNA) where: Base-Base interactions energy: -982.718 where: short stacking energy: -395.627 Base-Backbone interact. energy: -1.072 local terms energy: -436.217545 where: bonds (distance) C4'-P energy: -67.605 bonds (distance) P-C4' energy: -90.585 flat angles C4'-P-C4' energy: -102.592 flat angles P-C4'-P energy: -65.228 tors. eta vs tors. theta energy: -110.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1337.647888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.647888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.647888 (E_RNA) where: Base-Base interactions energy: -922.692 where: short stacking energy: -369.188 Base-Backbone interact. energy: -0.194 local terms energy: -414.761263 where: bonds (distance) C4'-P energy: -94.704 bonds (distance) P-C4' energy: -66.930 flat angles C4'-P-C4' energy: -100.971 flat angles P-C4'-P energy: -56.658 tors. eta vs tors. theta energy: -95.498 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: 460 Temperature: 1.250000 Total energy: -1266.536508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.536508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.536508 (E_RNA) where: Base-Base interactions energy: -884.481 where: short stacking energy: -377.321 Base-Backbone interact. energy: -0.433 local terms energy: -381.622998 where: bonds (distance) C4'-P energy: -77.520 bonds (distance) P-C4' energy: -86.956 flat angles C4'-P-C4' energy: -74.983 flat angles P-C4'-P energy: -33.948 tors. eta vs tors. theta energy: -108.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -1057.739553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.739553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.739553 (E_RNA) where: Base-Base interactions energy: -694.394 where: short stacking energy: -296.176 Base-Backbone interact. energy: -3.387 local terms energy: -359.959256 where: bonds (distance) C4'-P energy: -81.150 bonds (distance) P-C4' energy: -70.920 flat angles C4'-P-C4' energy: -80.245 flat angles P-C4'-P energy: -48.691 tors. eta vs tors. theta energy: -78.953 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: 9 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -734.739537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.739537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.739537 (E_RNA) where: Base-Base interactions energy: -412.978 where: short stacking energy: -196.022 Base-Backbone interact. energy: 0.867 local terms energy: -322.628466 where: bonds (distance) C4'-P energy: -84.086 bonds (distance) P-C4' energy: -71.731 flat angles C4'-P-C4' energy: -82.952 flat angles P-C4'-P energy: -56.713 tors. eta vs tors. theta energy: -27.146 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: 2 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1908.181522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.181522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.181522 (E_RNA) where: Base-Base interactions energy: -1338.136 where: short stacking energy: -529.412 Base-Backbone interact. energy: -0.016 local terms energy: -570.030012 where: bonds (distance) C4'-P energy: -95.030 bonds (distance) P-C4' energy: -105.546 flat angles C4'-P-C4' energy: -118.785 flat angles P-C4'-P energy: -82.638 tors. eta vs tors. theta energy: -168.031 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: 3 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1786.989367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.989367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.989367 (E_RNA) where: Base-Base interactions energy: -1242.716 where: short stacking energy: -491.914 Base-Backbone interact. energy: -0.915 local terms energy: -543.358249 where: bonds (distance) C4'-P energy: -96.468 bonds (distance) P-C4' energy: -96.393 flat angles C4'-P-C4' energy: -111.865 flat angles P-C4'-P energy: -76.327 tors. eta vs tors. theta energy: -162.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1746.865211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.865211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.865211 (E_RNA) where: Base-Base interactions energy: -1249.501 where: short stacking energy: -485.151 Base-Backbone interact. energy: -0.507 local terms energy: -496.857493 where: bonds (distance) C4'-P energy: -92.809 bonds (distance) P-C4' energy: -71.789 flat angles C4'-P-C4' energy: -102.814 flat angles P-C4'-P energy: -84.043 tors. eta vs tors. theta energy: -145.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1656.368228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.368228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.368228 (E_RNA) where: Base-Base interactions energy: -1134.592 where: short stacking energy: -485.761 Base-Backbone interact. energy: -1.713 local terms energy: -520.063711 where: bonds (distance) C4'-P energy: -89.039 bonds (distance) P-C4' energy: -101.527 flat angles C4'-P-C4' energy: -107.437 flat angles P-C4'-P energy: -74.499 tors. eta vs tors. theta energy: -147.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -1580.018080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.018080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.018080 (E_RNA) where: Base-Base interactions energy: -1098.450 where: short stacking energy: -430.701 Base-Backbone interact. energy: -2.117 local terms energy: -479.451181 where: bonds (distance) C4'-P energy: -94.935 bonds (distance) P-C4' energy: -84.968 flat angles C4'-P-C4' energy: -95.463 flat angles P-C4'-P energy: -77.771 tors. eta vs tors. theta energy: -126.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1438.853968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.853968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.853968 (E_RNA) where: Base-Base interactions energy: -984.522 where: short stacking energy: -382.499 Base-Backbone interact. energy: -0.551 local terms energy: -453.780161 where: bonds (distance) C4'-P energy: -80.967 bonds (distance) P-C4' energy: -99.968 flat angles C4'-P-C4' energy: -92.907 flat angles P-C4'-P energy: -62.119 tors. eta vs tors. theta energy: -117.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1340.535853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.535853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.535853 (E_RNA) where: Base-Base interactions energy: -922.519 where: short stacking energy: -380.267 Base-Backbone interact. energy: -1.559 local terms energy: -416.457523 where: bonds (distance) C4'-P energy: -89.875 bonds (distance) P-C4' energy: -83.328 flat angles C4'-P-C4' energy: -92.950 flat angles P-C4'-P energy: -54.350 tors. eta vs tors. theta energy: -95.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1275.039004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.039004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.039004 (E_RNA) where: Base-Base interactions energy: -861.026 where: short stacking energy: -374.200 Base-Backbone interact. energy: -1.147 local terms energy: -412.866233 where: bonds (distance) C4'-P energy: -72.163 bonds (distance) P-C4' energy: -66.135 flat angles C4'-P-C4' energy: -92.541 flat angles P-C4'-P energy: -68.702 tors. eta vs tors. theta energy: -113.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -1100.756702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.756702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.756702 (E_RNA) where: Base-Base interactions energy: -727.562 where: short stacking energy: -323.765 Base-Backbone interact. energy: 3.747 local terms energy: -376.942141 where: bonds (distance) C4'-P energy: -74.074 bonds (distance) P-C4' energy: -85.198 flat angles C4'-P-C4' energy: -89.663 flat angles P-C4'-P energy: -55.996 tors. eta vs tors. theta energy: -72.012 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: 9 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -718.289724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.289724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.289724 (E_RNA) where: Base-Base interactions energy: -429.107 where: short stacking energy: -189.068 Base-Backbone interact. energy: 2.318 local terms energy: -291.500251 where: bonds (distance) C4'-P energy: -69.141 bonds (distance) P-C4' energy: -88.427 flat angles C4'-P-C4' energy: -73.202 flat angles P-C4'-P energy: -43.404 tors. eta vs tors. theta energy: -17.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1913.555872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.555872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.555872 (E_RNA) where: Base-Base interactions energy: -1348.836 where: short stacking energy: -543.125 Base-Backbone interact. energy: 0.624 local terms energy: -565.344402 where: bonds (distance) C4'-P energy: -92.361 bonds (distance) P-C4' energy: -96.340 flat angles C4'-P-C4' energy: -117.537 flat angles P-C4'-P energy: -86.042 tors. eta vs tors. theta energy: -173.064 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: 3 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1783.151139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.151139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.151139 (E_RNA) where: Base-Base interactions energy: -1266.015 where: short stacking energy: -514.393 Base-Backbone interact. energy: 0.451 local terms energy: -517.586707 where: bonds (distance) C4'-P energy: -87.786 bonds (distance) P-C4' energy: -89.345 flat angles C4'-P-C4' energy: -109.441 flat angles P-C4'-P energy: -64.508 tors. eta vs tors. theta energy: -166.507 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: 8 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1758.310024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.310024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.310024 (E_RNA) where: Base-Base interactions energy: -1214.379 where: short stacking energy: -504.963 Base-Backbone interact. energy: -0.362 local terms energy: -543.569334 where: bonds (distance) C4'-P energy: -97.880 bonds (distance) P-C4' energy: -105.432 flat angles C4'-P-C4' energy: -108.590 flat angles P-C4'-P energy: -77.636 tors. eta vs tors. theta energy: -154.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1659.684832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.684832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.684832 (E_RNA) where: Base-Base interactions energy: -1154.137 where: short stacking energy: -460.479 Base-Backbone interact. energy: -2.737 local terms energy: -502.811320 where: bonds (distance) C4'-P energy: -89.651 bonds (distance) P-C4' energy: -91.104 flat angles C4'-P-C4' energy: -102.962 flat angles P-C4'-P energy: -72.103 tors. eta vs tors. theta energy: -146.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -1599.858059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.858059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.858059 (E_RNA) where: Base-Base interactions energy: -1069.461 where: short stacking energy: -437.118 Base-Backbone interact. energy: -2.198 local terms energy: -528.198866 where: bonds (distance) C4'-P energy: -96.187 bonds (distance) P-C4' energy: -91.855 flat angles C4'-P-C4' energy: -110.613 flat angles P-C4'-P energy: -76.503 tors. eta vs tors. theta energy: -153.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1458.601163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.601163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.601163 (E_RNA) where: Base-Base interactions energy: -1022.890 where: short stacking energy: -407.264 Base-Backbone interact. energy: 3.182 local terms energy: -438.892932 where: bonds (distance) C4'-P energy: -89.385 bonds (distance) P-C4' energy: -81.384 flat angles C4'-P-C4' energy: -79.297 flat angles P-C4'-P energy: -58.595 tors. eta vs tors. theta energy: -130.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1369.134249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.134249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.134249 (E_RNA) where: Base-Base interactions energy: -956.658 where: short stacking energy: -397.263 Base-Backbone interact. energy: 0.544 local terms energy: -413.020827 where: bonds (distance) C4'-P energy: -81.968 bonds (distance) P-C4' energy: -75.017 flat angles C4'-P-C4' energy: -92.189 flat angles P-C4'-P energy: -52.943 tors. eta vs tors. theta energy: -110.904 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: 8, replica: 5 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1253.439211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.439211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.439211 (E_RNA) where: Base-Base interactions energy: -849.576 where: short stacking energy: -359.757 Base-Backbone interact. energy: -0.028 local terms energy: -403.835308 where: bonds (distance) C4'-P energy: -82.081 bonds (distance) P-C4' energy: -74.554 flat angles C4'-P-C4' energy: -84.695 flat angles P-C4'-P energy: -60.372 tors. eta vs tors. theta energy: -102.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -1098.343268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.343268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.343268 (E_RNA) where: Base-Base interactions energy: -724.380 where: short stacking energy: -305.321 Base-Backbone interact. energy: -0.453 local terms energy: -373.510487 where: bonds (distance) C4'-P energy: -86.776 bonds (distance) P-C4' energy: -75.162 flat angles C4'-P-C4' energy: -74.403 flat angles P-C4'-P energy: -56.961 tors. eta vs tors. theta energy: -80.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -747.890533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.890533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.890533 (E_RNA) where: Base-Base interactions energy: -449.686 where: short stacking energy: -219.371 Base-Backbone interact. energy: 0.131 local terms energy: -298.335394 where: bonds (distance) C4'-P energy: -67.421 bonds (distance) P-C4' energy: -81.858 flat angles C4'-P-C4' energy: -81.967 flat angles P-C4'-P energy: -45.939 tors. eta vs tors. theta energy: -21.150 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: 2 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1906.854047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.854047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.854047 (E_RNA) where: Base-Base interactions energy: -1352.473 where: short stacking energy: -553.785 Base-Backbone interact. energy: -0.359 local terms energy: -554.021620 where: bonds (distance) C4'-P energy: -96.167 bonds (distance) P-C4' energy: -90.408 flat angles C4'-P-C4' energy: -113.725 flat angles P-C4'-P energy: -84.176 tors. eta vs tors. theta energy: -169.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1786.035279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.035279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.035279 (E_RNA) where: Base-Base interactions energy: -1246.467 where: short stacking energy: -512.608 Base-Backbone interact. energy: 2.765 local terms energy: -542.333585 where: bonds (distance) C4'-P energy: -99.651 bonds (distance) P-C4' energy: -96.668 flat angles C4'-P-C4' energy: -110.491 flat angles P-C4'-P energy: -72.844 tors. eta vs tors. theta energy: -162.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1745.420447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.420447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.420447 (E_RNA) where: Base-Base interactions energy: -1228.496 where: short stacking energy: -505.247 Base-Backbone interact. energy: -1.170 local terms energy: -515.753864 where: bonds (distance) C4'-P energy: -82.543 bonds (distance) P-C4' energy: -89.024 flat angles C4'-P-C4' energy: -109.520 flat angles P-C4'-P energy: -75.768 tors. eta vs tors. theta energy: -158.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1619.175065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.175065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.175065 (E_RNA) where: Base-Base interactions energy: -1129.346 where: short stacking energy: -464.693 Base-Backbone interact. energy: -0.776 local terms energy: -489.052731 where: bonds (distance) C4'-P energy: -91.026 bonds (distance) P-C4' energy: -88.272 flat angles C4'-P-C4' energy: -104.711 flat angles P-C4'-P energy: -63.232 tors. eta vs tors. theta energy: -141.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -1570.749187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.749187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.749187 (E_RNA) where: Base-Base interactions energy: -1081.474 where: short stacking energy: -442.480 Base-Backbone interact. energy: -2.008 local terms energy: -487.267179 where: bonds (distance) C4'-P energy: -82.024 bonds (distance) P-C4' energy: -80.737 flat angles C4'-P-C4' energy: -106.365 flat angles P-C4'-P energy: -75.356 tors. eta vs tors. theta energy: -142.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1519.716554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.716554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.716554 (E_RNA) where: Base-Base interactions energy: -1062.202 where: short stacking energy: -446.792 Base-Backbone interact. energy: -1.510 local terms energy: -456.004434 where: bonds (distance) C4'-P energy: -84.978 bonds (distance) P-C4' energy: -76.202 flat angles C4'-P-C4' energy: -101.653 flat angles P-C4'-P energy: -61.358 tors. eta vs tors. theta energy: -131.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1336.553577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.553577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.553577 (E_RNA) where: Base-Base interactions energy: -915.233 where: short stacking energy: -380.023 Base-Backbone interact. energy: 0.589 local terms energy: -421.909567 where: bonds (distance) C4'-P energy: -89.571 bonds (distance) P-C4' energy: -86.845 flat angles C4'-P-C4' energy: -80.725 flat angles P-C4'-P energy: -53.152 tors. eta vs tors. theta energy: -111.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1280.475667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.475667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.475667 (E_RNA) where: Base-Base interactions energy: -866.296 where: short stacking energy: -361.315 Base-Backbone interact. energy: 1.253 local terms energy: -415.432490 where: bonds (distance) C4'-P energy: -72.085 bonds (distance) P-C4' energy: -81.341 flat angles C4'-P-C4' energy: -94.491 flat angles P-C4'-P energy: -64.561 tors. eta vs tors. theta energy: -102.955 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: 10 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -1089.498633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.498633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.498633 (E_RNA) where: Base-Base interactions energy: -721.505 where: short stacking energy: -315.097 Base-Backbone interact. energy: 0.488 local terms energy: -368.481276 where: bonds (distance) C4'-P energy: -89.596 bonds (distance) P-C4' energy: -55.582 flat angles C4'-P-C4' energy: -95.897 flat angles P-C4'-P energy: -44.670 tors. eta vs tors. theta energy: -82.737 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: 9 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -788.637697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.637697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.637697 (E_RNA) where: Base-Base interactions energy: -492.554 where: short stacking energy: -238.970 Base-Backbone interact. energy: 1.237 local terms energy: -297.320391 where: bonds (distance) C4'-P energy: -69.860 bonds (distance) P-C4' energy: -62.725 flat angles C4'-P-C4' energy: -70.246 flat angles P-C4'-P energy: -45.069 tors. eta vs tors. theta energy: -49.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1890.329014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.329014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.329014 (E_RNA) where: Base-Base interactions energy: -1344.118 where: short stacking energy: -528.778 Base-Backbone interact. energy: -0.032 local terms energy: -546.179719 where: bonds (distance) C4'-P energy: -90.381 bonds (distance) P-C4' energy: -92.845 flat angles C4'-P-C4' energy: -115.808 flat angles P-C4'-P energy: -77.299 tors. eta vs tors. theta energy: -169.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1789.297059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.297059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.297059 (E_RNA) where: Base-Base interactions energy: -1247.303 where: short stacking energy: -501.161 Base-Backbone interact. energy: -1.687 local terms energy: -540.306504 where: bonds (distance) C4'-P energy: -93.061 bonds (distance) P-C4' energy: -92.320 flat angles C4'-P-C4' energy: -118.881 flat angles P-C4'-P energy: -76.765 tors. eta vs tors. theta energy: -159.280 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: 8 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1734.164165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.164165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.164165 (E_RNA) where: Base-Base interactions energy: -1216.537 where: short stacking energy: -499.506 Base-Backbone interact. energy: -0.851 local terms energy: -516.776525 where: bonds (distance) C4'-P energy: -94.583 bonds (distance) P-C4' energy: -90.516 flat angles C4'-P-C4' energy: -106.956 flat angles P-C4'-P energy: -68.206 tors. eta vs tors. theta energy: -156.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1646.607570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.607570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.607570 (E_RNA) where: Base-Base interactions energy: -1164.952 where: short stacking energy: -461.529 Base-Backbone interact. energy: 4.500 local terms energy: -486.156054 where: bonds (distance) C4'-P energy: -87.638 bonds (distance) P-C4' energy: -82.906 flat angles C4'-P-C4' energy: -97.770 flat angles P-C4'-P energy: -74.137 tors. eta vs tors. theta energy: -143.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -1547.181801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.181801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.181801 (E_RNA) where: Base-Base interactions energy: -1063.371 where: short stacking energy: -454.648 Base-Backbone interact. energy: -0.420 local terms energy: -483.391229 where: bonds (distance) C4'-P energy: -81.105 bonds (distance) P-C4' energy: -80.693 flat angles C4'-P-C4' energy: -93.846 flat angles P-C4'-P energy: -73.355 tors. eta vs tors. theta energy: -154.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1538.436002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.436002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.436002 (E_RNA) where: Base-Base interactions energy: -1056.440 where: short stacking energy: -443.477 Base-Backbone interact. energy: -2.152 local terms energy: -479.844361 where: bonds (distance) C4'-P energy: -76.487 bonds (distance) P-C4' energy: -98.716 flat angles C4'-P-C4' energy: -98.545 flat angles P-C4'-P energy: -66.149 tors. eta vs tors. theta energy: -139.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1356.450761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.450761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.450761 (E_RNA) where: Base-Base interactions energy: -928.350 where: short stacking energy: -369.960 Base-Backbone interact. energy: -0.718 local terms energy: -427.383390 where: bonds (distance) C4'-P energy: -83.957 bonds (distance) P-C4' energy: -84.034 flat angles C4'-P-C4' energy: -86.060 flat angles P-C4'-P energy: -60.976 tors. eta vs tors. theta energy: -112.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1281.656329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.656329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.656329 (E_RNA) where: Base-Base interactions energy: -861.003 where: short stacking energy: -365.519 Base-Backbone interact. energy: 1.896 local terms energy: -422.548858 where: bonds (distance) C4'-P energy: -76.982 bonds (distance) P-C4' energy: -91.058 flat angles C4'-P-C4' energy: -92.369 flat angles P-C4'-P energy: -62.438 tors. eta vs tors. theta energy: -99.703 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: 10 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -1095.649853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.649853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.649853 (E_RNA) where: Base-Base interactions energy: -715.468 where: short stacking energy: -306.499 Base-Backbone interact. energy: 0.184 local terms energy: -380.366142 where: bonds (distance) C4'-P energy: -71.875 bonds (distance) P-C4' energy: -85.001 flat angles C4'-P-C4' energy: -91.317 flat angles P-C4'-P energy: -52.397 tors. eta vs tors. theta energy: -79.776 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: 9 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -788.939989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.939989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.939989 (E_RNA) where: Base-Base interactions energy: -493.543 where: short stacking energy: -241.646 Base-Backbone interact. energy: 2.883 local terms energy: -298.280352 where: bonds (distance) C4'-P energy: -67.660 bonds (distance) P-C4' energy: -77.922 flat angles C4'-P-C4' energy: -76.969 flat angles P-C4'-P energy: -37.786 tors. eta vs tors. theta energy: -37.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1908.910877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.910877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.910877 (E_RNA) where: Base-Base interactions energy: -1339.409 where: short stacking energy: -543.469 Base-Backbone interact. energy: -0.206 local terms energy: -569.295514 where: bonds (distance) C4'-P energy: -99.046 bonds (distance) P-C4' energy: -102.232 flat angles C4'-P-C4' energy: -112.823 flat angles P-C4'-P energy: -82.964 tors. eta vs tors. theta energy: -172.230 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: 3 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1792.728053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.728053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.728053 (E_RNA) where: Base-Base interactions energy: -1264.285 where: short stacking energy: -504.315 Base-Backbone interact. energy: 0.231 local terms energy: -528.673746 where: bonds (distance) C4'-P energy: -89.101 bonds (distance) P-C4' energy: -95.517 flat angles C4'-P-C4' energy: -110.539 flat angles P-C4'-P energy: -82.731 tors. eta vs tors. theta energy: -150.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1742.114483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.114483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.114483 (E_RNA) where: Base-Base interactions energy: -1216.836 where: short stacking energy: -507.699 Base-Backbone interact. energy: -0.797 local terms energy: -524.481109 where: bonds (distance) C4'-P energy: -88.174 bonds (distance) P-C4' energy: -101.480 flat angles C4'-P-C4' energy: -112.022 flat angles P-C4'-P energy: -66.659 tors. eta vs tors. theta energy: -156.146 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: 7 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1617.527980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.527980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.527980 (E_RNA) where: Base-Base interactions energy: -1118.153 where: short stacking energy: -465.429 Base-Backbone interact. energy: -0.199 local terms energy: -499.175334 where: bonds (distance) C4'-P energy: -97.748 bonds (distance) P-C4' energy: -90.281 flat angles C4'-P-C4' energy: -96.455 flat angles P-C4'-P energy: -74.967 tors. eta vs tors. theta energy: -139.724 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: 5, replica: 6 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1573.227995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.227995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.227995 (E_RNA) where: Base-Base interactions energy: -1089.694 where: short stacking energy: -453.577 Base-Backbone interact. energy: -1.531 local terms energy: -482.003508 where: bonds (distance) C4'-P energy: -79.287 bonds (distance) P-C4' energy: -96.951 flat angles C4'-P-C4' energy: -104.635 flat angles P-C4'-P energy: -63.024 tors. eta vs tors. theta energy: -138.107 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: 465 Temperature: 1.150000 Total energy: -1527.506244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.506244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.506244 (E_RNA) where: Base-Base interactions energy: -1088.003 where: short stacking energy: -440.390 Base-Backbone interact. energy: -1.278 local terms energy: -438.225547 where: bonds (distance) C4'-P energy: -71.401 bonds (distance) P-C4' energy: -84.844 flat angles C4'-P-C4' energy: -92.126 flat angles P-C4'-P energy: -54.132 tors. eta vs tors. theta energy: -135.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1390.719486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.719486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.719486 (E_RNA) where: Base-Base interactions energy: -948.041 where: short stacking energy: -408.418 Base-Backbone interact. energy: -1.169 local terms energy: -441.509178 where: bonds (distance) C4'-P energy: -92.038 bonds (distance) P-C4' energy: -86.154 flat angles C4'-P-C4' energy: -85.655 flat angles P-C4'-P energy: -53.757 tors. eta vs tors. theta energy: -123.905 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: 8, replica: 5 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1283.399885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.399885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.399885 (E_RNA) where: Base-Base interactions energy: -868.374 where: short stacking energy: -369.977 Base-Backbone interact. energy: -1.580 local terms energy: -413.445731 where: bonds (distance) C4'-P energy: -78.426 bonds (distance) P-C4' energy: -79.144 flat angles C4'-P-C4' energy: -85.040 flat angles P-C4'-P energy: -71.001 tors. eta vs tors. theta energy: -99.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -1073.466312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.466312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.466312 (E_RNA) where: Base-Base interactions energy: -689.880 where: short stacking energy: -308.611 Base-Backbone interact. energy: -1.786 local terms energy: -381.799695 where: bonds (distance) C4'-P energy: -98.918 bonds (distance) P-C4' energy: -76.559 flat angles C4'-P-C4' energy: -68.035 flat angles P-C4'-P energy: -54.124 tors. eta vs tors. theta energy: -84.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -784.132836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.132836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.132836 (E_RNA) where: Base-Base interactions energy: -468.024 where: short stacking energy: -216.858 Base-Backbone interact. energy: 3.883 local terms energy: -319.992297 where: bonds (distance) C4'-P energy: -78.867 bonds (distance) P-C4' energy: -72.400 flat angles C4'-P-C4' energy: -86.730 flat angles P-C4'-P energy: -47.897 tors. eta vs tors. theta energy: -34.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1910.722018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.722018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.722018 (E_RNA) where: Base-Base interactions energy: -1373.548 where: short stacking energy: -538.829 Base-Backbone interact. energy: -0.349 local terms energy: -536.825119 where: bonds (distance) C4'-P energy: -93.047 bonds (distance) P-C4' energy: -96.017 flat angles C4'-P-C4' energy: -106.433 flat angles P-C4'-P energy: -79.362 tors. eta vs tors. theta energy: -161.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1788.093449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.093449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.093449 (E_RNA) where: Base-Base interactions energy: -1264.031 where: short stacking energy: -506.310 Base-Backbone interact. energy: -0.106 local terms energy: -523.956563 where: bonds (distance) C4'-P energy: -81.240 bonds (distance) P-C4' energy: -100.673 flat angles C4'-P-C4' energy: -107.444 flat angles P-C4'-P energy: -75.827 tors. eta vs tors. theta energy: -158.774 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: 8 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1741.419401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.419401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.419401 (E_RNA) where: Base-Base interactions energy: -1224.498 where: short stacking energy: -501.690 Base-Backbone interact. energy: 1.208 local terms energy: -518.128959 where: bonds (distance) C4'-P energy: -92.261 bonds (distance) P-C4' energy: -81.596 flat angles C4'-P-C4' energy: -112.353 flat angles P-C4'-P energy: -72.536 tors. eta vs tors. theta energy: -159.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1627.320541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.320541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.320541 (E_RNA) where: Base-Base interactions energy: -1132.038 where: short stacking energy: -466.949 Base-Backbone interact. energy: 1.321 local terms energy: -496.603882 where: bonds (distance) C4'-P energy: -90.068 bonds (distance) P-C4' energy: -90.427 flat angles C4'-P-C4' energy: -96.387 flat angles P-C4'-P energy: -72.531 tors. eta vs tors. theta energy: -147.190 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: 5, replica: 6 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -1552.781188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.781188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.781188 (E_RNA) where: Base-Base interactions energy: -1104.541 where: short stacking energy: -461.722 Base-Backbone interact. energy: -0.413 local terms energy: -447.827225 where: bonds (distance) C4'-P energy: -71.860 bonds (distance) P-C4' energy: -85.397 flat angles C4'-P-C4' energy: -103.187 flat angles P-C4'-P energy: -55.481 tors. eta vs tors. theta energy: -131.902 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: 466 Temperature: 1.150000 Total energy: -1521.458628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.458628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.458628 (E_RNA) where: Base-Base interactions energy: -1063.860 where: short stacking energy: -416.950 Base-Backbone interact. energy: -1.644 local terms energy: -455.954936 where: bonds (distance) C4'-P energy: -88.438 bonds (distance) P-C4' energy: -75.705 flat angles C4'-P-C4' energy: -104.294 flat angles P-C4'-P energy: -56.468 tors. eta vs tors. theta energy: -131.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1390.334949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.334949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.334949 (E_RNA) where: Base-Base interactions energy: -957.168 where: short stacking energy: -404.548 Base-Backbone interact. energy: -1.514 local terms energy: -431.652457 where: bonds (distance) C4'-P energy: -80.084 bonds (distance) P-C4' energy: -81.169 flat angles C4'-P-C4' energy: -89.440 flat angles P-C4'-P energy: -64.142 tors. eta vs tors. theta energy: -116.819 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: 5 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1238.560772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.560772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.560772 (E_RNA) where: Base-Base interactions energy: -855.025 where: short stacking energy: -358.901 Base-Backbone interact. energy: 3.527 local terms energy: -387.062884 where: bonds (distance) C4'-P energy: -76.046 bonds (distance) P-C4' energy: -79.764 flat angles C4'-P-C4' energy: -95.428 flat angles P-C4'-P energy: -43.158 tors. eta vs tors. theta energy: -92.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -1072.297854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.297854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.297854 (E_RNA) where: Base-Base interactions energy: -729.646 where: short stacking energy: -321.333 Base-Backbone interact. energy: -1.825 local terms energy: -340.826451 where: bonds (distance) C4'-P energy: -80.562 bonds (distance) P-C4' energy: -74.490 flat angles C4'-P-C4' energy: -64.011 flat angles P-C4'-P energy: -47.483 tors. eta vs tors. theta energy: -74.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -760.193151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.193151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.193151 (E_RNA) where: Base-Base interactions energy: -440.190 where: short stacking energy: -189.120 Base-Backbone interact. energy: -2.837 local terms energy: -317.165341 where: bonds (distance) C4'-P energy: -88.180 bonds (distance) P-C4' energy: -78.802 flat angles C4'-P-C4' energy: -80.392 flat angles P-C4'-P energy: -43.789 tors. eta vs tors. theta energy: -26.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1902.331841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.331841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.331841 (E_RNA) where: Base-Base interactions energy: -1352.524 where: short stacking energy: -549.217 Base-Backbone interact. energy: 0.486 local terms energy: -550.293847 where: bonds (distance) C4'-P energy: -97.464 bonds (distance) P-C4' energy: -90.317 flat angles C4'-P-C4' energy: -117.560 flat angles P-C4'-P energy: -72.051 tors. eta vs tors. theta energy: -172.902 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: 8 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1796.305559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.305559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.305559 (E_RNA) where: Base-Base interactions energy: -1262.199 where: short stacking energy: -525.247 Base-Backbone interact. energy: 0.377 local terms energy: -534.482944 where: bonds (distance) C4'-P energy: -97.234 bonds (distance) P-C4' energy: -90.542 flat angles C4'-P-C4' energy: -115.890 flat angles P-C4'-P energy: -67.953 tors. eta vs tors. theta energy: -162.863 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: 3 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1742.050088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.050088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.050088 (E_RNA) where: Base-Base interactions energy: -1240.767 where: short stacking energy: -490.979 Base-Backbone interact. energy: 0.500 local terms energy: -501.782625 where: bonds (distance) C4'-P energy: -85.238 bonds (distance) P-C4' energy: -93.195 flat angles C4'-P-C4' energy: -104.447 flat angles P-C4'-P energy: -71.130 tors. eta vs tors. theta energy: -147.773 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: 7 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -1652.088123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.088123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.088123 (E_RNA) where: Base-Base interactions energy: -1144.976 where: short stacking energy: -476.231 Base-Backbone interact. energy: -0.577 local terms energy: -506.535281 where: bonds (distance) C4'-P energy: -90.704 bonds (distance) P-C4' energy: -88.440 flat angles C4'-P-C4' energy: -105.018 flat angles P-C4'-P energy: -69.355 tors. eta vs tors. theta energy: -153.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -1511.965947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.965947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.965947 (E_RNA) where: Base-Base interactions energy: -1046.172 where: short stacking energy: -421.747 Base-Backbone interact. energy: 0.099 local terms energy: -465.893103 where: bonds (distance) C4'-P energy: -91.998 bonds (distance) P-C4' energy: -92.979 flat angles C4'-P-C4' energy: -95.872 flat angles P-C4'-P energy: -68.851 tors. eta vs tors. theta energy: -116.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1533.744251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.744251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.744251 (E_RNA) where: Base-Base interactions energy: -1062.043 where: short stacking energy: -430.176 Base-Backbone interact. energy: -0.910 local terms energy: -470.791932 where: bonds (distance) C4'-P energy: -88.447 bonds (distance) P-C4' energy: -80.719 flat angles C4'-P-C4' energy: -104.188 flat angles P-C4'-P energy: -67.636 tors. eta vs tors. theta energy: -129.802 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: 1 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1401.137928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.137928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.137928 (E_RNA) where: Base-Base interactions energy: -976.713 where: short stacking energy: -376.965 Base-Backbone interact. energy: -1.227 local terms energy: -423.198562 where: bonds (distance) C4'-P energy: -74.664 bonds (distance) P-C4' energy: -82.255 flat angles C4'-P-C4' energy: -97.879 flat angles P-C4'-P energy: -57.611 tors. eta vs tors. theta energy: -110.789 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: 5 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1319.135886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.135886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.135886 (E_RNA) where: Base-Base interactions energy: -897.583 where: short stacking energy: -375.125 Base-Backbone interact. energy: -0.196 local terms energy: -421.356845 where: bonds (distance) C4'-P energy: -72.591 bonds (distance) P-C4' energy: -83.505 flat angles C4'-P-C4' energy: -98.277 flat angles P-C4'-P energy: -61.639 tors. eta vs tors. theta energy: -105.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -1101.888908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.888908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.888908 (E_RNA) where: Base-Base interactions energy: -724.263 where: short stacking energy: -313.786 Base-Backbone interact. energy: 1.015 local terms energy: -378.641627 where: bonds (distance) C4'-P energy: -75.432 bonds (distance) P-C4' energy: -76.294 flat angles C4'-P-C4' energy: -98.886 flat angles P-C4'-P energy: -55.332 tors. eta vs tors. theta energy: -72.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -780.237760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.237760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.237760 (E_RNA) where: Base-Base interactions energy: -456.274 where: short stacking energy: -195.725 Base-Backbone interact. energy: -2.842 local terms energy: -321.122011 where: bonds (distance) C4'-P energy: -73.522 bonds (distance) P-C4' energy: -78.507 flat angles C4'-P-C4' energy: -87.074 flat angles P-C4'-P energy: -50.722 tors. eta vs tors. theta energy: -31.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1917.673032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.673032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.673032 (E_RNA) where: Base-Base interactions energy: -1343.068 where: short stacking energy: -547.264 Base-Backbone interact. energy: -0.566 local terms energy: -574.038810 where: bonds (distance) C4'-P energy: -97.158 bonds (distance) P-C4' energy: -102.910 flat angles C4'-P-C4' energy: -121.055 flat angles P-C4'-P energy: -83.804 tors. eta vs tors. theta energy: -169.112 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: 8 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1788.294076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.294076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.294076 (E_RNA) where: Base-Base interactions energy: -1256.461 where: short stacking energy: -512.595 Base-Backbone interact. energy: -1.145 local terms energy: -530.687772 where: bonds (distance) C4'-P energy: -97.159 bonds (distance) P-C4' energy: -92.617 flat angles C4'-P-C4' energy: -113.639 flat angles P-C4'-P energy: -65.228 tors. eta vs tors. theta energy: -162.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1730.974830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.974830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.974830 (E_RNA) where: Base-Base interactions energy: -1221.087 where: short stacking energy: -490.374 Base-Backbone interact. energy: -0.932 local terms energy: -508.956396 where: bonds (distance) C4'-P energy: -92.313 bonds (distance) P-C4' energy: -97.671 flat angles C4'-P-C4' energy: -111.451 flat angles P-C4'-P energy: -68.243 tors. eta vs tors. theta energy: -139.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1639.651469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.651469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.651469 (E_RNA) where: Base-Base interactions energy: -1143.704 where: short stacking energy: -488.567 Base-Backbone interact. energy: -1.414 local terms energy: -494.533535 where: bonds (distance) C4'-P energy: -83.709 bonds (distance) P-C4' energy: -91.996 flat angles C4'-P-C4' energy: -102.930 flat angles P-C4'-P energy: -66.097 tors. eta vs tors. theta energy: -149.801 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: 4 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1555.100273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.100273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.100273 (E_RNA) where: Base-Base interactions energy: -1062.003 where: short stacking energy: -434.903 Base-Backbone interact. energy: 1.059 local terms energy: -494.156274 where: bonds (distance) C4'-P energy: -86.104 bonds (distance) P-C4' energy: -98.277 flat angles C4'-P-C4' energy: -104.937 flat angles P-C4'-P energy: -66.172 tors. eta vs tors. theta energy: -138.666 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: 468 Temperature: 1.150000 Total energy: -1486.277485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.277485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.277485 (E_RNA) where: Base-Base interactions energy: -1037.084 where: short stacking energy: -420.660 Base-Backbone interact. energy: 0.019 local terms energy: -449.211789 where: bonds (distance) C4'-P energy: -93.268 bonds (distance) P-C4' energy: -74.264 flat angles C4'-P-C4' energy: -91.316 flat angles P-C4'-P energy: -67.211 tors. eta vs tors. theta energy: -123.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1425.480405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.480405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.480405 (E_RNA) where: Base-Base interactions energy: -987.489 where: short stacking energy: -390.089 Base-Backbone interact. energy: -1.666 local terms energy: -436.325851 where: bonds (distance) C4'-P energy: -83.714 bonds (distance) P-C4' energy: -84.918 flat angles C4'-P-C4' energy: -99.692 flat angles P-C4'-P energy: -49.629 tors. eta vs tors. theta energy: -118.373 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: 5 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1286.180113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.180113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.180113 (E_RNA) where: Base-Base interactions energy: -884.946 where: short stacking energy: -350.517 Base-Backbone interact. energy: 7.554 local terms energy: -408.789018 where: bonds (distance) C4'-P energy: -78.173 bonds (distance) P-C4' energy: -73.292 flat angles C4'-P-C4' energy: -98.702 flat angles P-C4'-P energy: -52.541 tors. eta vs tors. theta energy: -106.082 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: 10 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -1069.023605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.023605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.023605 (E_RNA) where: Base-Base interactions energy: -712.509 where: short stacking energy: -290.698 Base-Backbone interact. energy: -0.237 local terms energy: -356.277756 where: bonds (distance) C4'-P energy: -75.841 bonds (distance) P-C4' energy: -75.869 flat angles C4'-P-C4' energy: -81.574 flat angles P-C4'-P energy: -58.539 tors. eta vs tors. theta energy: -64.455 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: 9 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -804.942588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.942588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.942588 (E_RNA) where: Base-Base interactions energy: -475.106 where: short stacking energy: -222.607 Base-Backbone interact. energy: -1.524 local terms energy: -328.312677 where: bonds (distance) C4'-P energy: -76.174 bonds (distance) P-C4' energy: -89.540 flat angles C4'-P-C4' energy: -71.033 flat angles P-C4'-P energy: -47.919 tors. eta vs tors. theta energy: -43.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1903.737746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.737746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.737746 (E_RNA) where: Base-Base interactions energy: -1351.657 where: short stacking energy: -553.760 Base-Backbone interact. energy: -1.163 local terms energy: -550.917191 where: bonds (distance) C4'-P energy: -90.617 bonds (distance) P-C4' energy: -100.343 flat angles C4'-P-C4' energy: -113.725 flat angles P-C4'-P energy: -78.089 tors. eta vs tors. theta energy: -168.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1785.280175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.280175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.280175 (E_RNA) where: Base-Base interactions energy: -1244.271 where: short stacking energy: -497.676 Base-Backbone interact. energy: -1.728 local terms energy: -539.281215 where: bonds (distance) C4'-P energy: -94.658 bonds (distance) P-C4' energy: -99.294 flat angles C4'-P-C4' energy: -114.963 flat angles P-C4'-P energy: -77.691 tors. eta vs tors. theta energy: -152.676 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: 3 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1730.477800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.477800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.477800 (E_RNA) where: Base-Base interactions energy: -1215.408 where: short stacking energy: -491.789 Base-Backbone interact. energy: 0.558 local terms energy: -515.628564 where: bonds (distance) C4'-P energy: -72.003 bonds (distance) P-C4' energy: -110.643 flat angles C4'-P-C4' energy: -105.392 flat angles P-C4'-P energy: -77.891 tors. eta vs tors. theta energy: -149.701 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: 4, replica: 7 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1640.111176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.111176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.111176 (E_RNA) where: Base-Base interactions energy: -1137.520 where: short stacking energy: -478.562 Base-Backbone interact. energy: -1.094 local terms energy: -501.496409 where: bonds (distance) C4'-P energy: -87.527 bonds (distance) P-C4' energy: -98.336 flat angles C4'-P-C4' energy: -97.667 flat angles P-C4'-P energy: -72.795 tors. eta vs tors. theta energy: -145.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1575.808929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.808929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.808929 (E_RNA) where: Base-Base interactions energy: -1101.584 where: short stacking energy: -446.300 Base-Backbone interact. energy: -0.055 local terms energy: -474.170095 where: bonds (distance) C4'-P energy: -89.137 bonds (distance) P-C4' energy: -79.738 flat angles C4'-P-C4' energy: -98.371 flat angles P-C4'-P energy: -68.365 tors. eta vs tors. theta energy: -138.560 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: 1 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1423.267247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.267247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.267247 (E_RNA) where: Base-Base interactions energy: -983.947 where: short stacking energy: -401.316 Base-Backbone interact. energy: -0.994 local terms energy: -438.326513 where: bonds (distance) C4'-P energy: -79.377 bonds (distance) P-C4' energy: -90.401 flat angles C4'-P-C4' energy: -100.446 flat angles P-C4'-P energy: -60.614 tors. eta vs tors. theta energy: -107.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1474.153355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.153355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.153355 (E_RNA) where: Base-Base interactions energy: -1056.068 where: short stacking energy: -438.929 Base-Backbone interact. energy: 4.698 local terms energy: -422.783853 where: bonds (distance) C4'-P energy: -73.086 bonds (distance) P-C4' energy: -79.750 flat angles C4'-P-C4' energy: -85.796 flat angles P-C4'-P energy: -58.643 tors. eta vs tors. theta energy: -125.508 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: 5 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1263.998749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.998749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.998749 (E_RNA) where: Base-Base interactions energy: -869.879 where: short stacking energy: -367.713 Base-Backbone interact. energy: -1.103 local terms energy: -393.016551 where: bonds (distance) C4'-P energy: -79.833 bonds (distance) P-C4' energy: -64.801 flat angles C4'-P-C4' energy: -86.705 flat angles P-C4'-P energy: -65.452 tors. eta vs tors. theta energy: -96.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -1053.421166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.421166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.421166 (E_RNA) where: Base-Base interactions energy: -690.215 where: short stacking energy: -289.569 Base-Backbone interact. energy: 2.602 local terms energy: -365.808698 where: bonds (distance) C4'-P energy: -75.541 bonds (distance) P-C4' energy: -71.359 flat angles C4'-P-C4' energy: -90.881 flat angles P-C4'-P energy: -58.763 tors. eta vs tors. theta energy: -69.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -770.915052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.915052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.915052 (E_RNA) where: Base-Base interactions energy: -457.425 where: short stacking energy: -222.849 Base-Backbone interact. energy: -1.052 local terms energy: -312.437917 where: bonds (distance) C4'-P energy: -68.648 bonds (distance) P-C4' energy: -84.774 flat angles C4'-P-C4' energy: -77.034 flat angles P-C4'-P energy: -40.604 tors. eta vs tors. theta energy: -41.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1926.759448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.759448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.759448 (E_RNA) where: Base-Base interactions energy: -1372.778 where: short stacking energy: -549.713 Base-Backbone interact. energy: -0.718 local terms energy: -553.263312 where: bonds (distance) C4'-P energy: -84.171 bonds (distance) P-C4' energy: -97.428 flat angles C4'-P-C4' energy: -112.784 flat angles P-C4'-P energy: -85.953 tors. eta vs tors. theta energy: -172.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1791.587393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.587393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.587393 (E_RNA) where: Base-Base interactions energy: -1247.162 where: short stacking energy: -503.833 Base-Backbone interact. energy: -1.011 local terms energy: -543.414051 where: bonds (distance) C4'-P energy: -102.802 bonds (distance) P-C4' energy: -104.937 flat angles C4'-P-C4' energy: -107.953 flat angles P-C4'-P energy: -68.275 tors. eta vs tors. theta energy: -159.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1730.129185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.129185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.129185 (E_RNA) where: Base-Base interactions energy: -1215.729 where: short stacking energy: -499.462 Base-Backbone interact. energy: 0.549 local terms energy: -514.949792 where: bonds (distance) C4'-P energy: -89.791 bonds (distance) P-C4' energy: -97.921 flat angles C4'-P-C4' energy: -102.942 flat angles P-C4'-P energy: -75.582 tors. eta vs tors. theta energy: -148.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1637.594341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.594341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.594341 (E_RNA) where: Base-Base interactions energy: -1120.719 where: short stacking energy: -464.805 Base-Backbone interact. energy: -1.562 local terms energy: -515.312689 where: bonds (distance) C4'-P energy: -90.997 bonds (distance) P-C4' energy: -97.172 flat angles C4'-P-C4' energy: -96.972 flat angles P-C4'-P energy: -82.129 tors. eta vs tors. theta energy: -148.043 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: 4 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -1567.986719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.986719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.986719 (E_RNA) where: Base-Base interactions energy: -1067.411 where: short stacking energy: -436.669 Base-Backbone interact. energy: 1.786 local terms energy: -502.362171 where: bonds (distance) C4'-P energy: -83.869 bonds (distance) P-C4' energy: -91.944 flat angles C4'-P-C4' energy: -99.187 flat angles P-C4'-P energy: -73.207 tors. eta vs tors. theta energy: -154.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1371.118549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.118549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.118549 (E_RNA) where: Base-Base interactions energy: -960.129 where: short stacking energy: -392.570 Base-Backbone interact. energy: -0.683 local terms energy: -410.307106 where: bonds (distance) C4'-P energy: -82.364 bonds (distance) P-C4' energy: -71.456 flat angles C4'-P-C4' energy: -101.542 flat angles P-C4'-P energy: -47.276 tors. eta vs tors. theta energy: -107.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1486.975556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.975556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.975556 (E_RNA) where: Base-Base interactions energy: -1053.293 where: short stacking energy: -407.666 Base-Backbone interact. energy: 0.164 local terms energy: -433.846475 where: bonds (distance) C4'-P energy: -81.363 bonds (distance) P-C4' energy: -80.420 flat angles C4'-P-C4' energy: -89.011 flat angles P-C4'-P energy: -60.002 tors. eta vs tors. theta energy: -123.051 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: 5 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1270.800536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.800536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.800536 (E_RNA) where: Base-Base interactions energy: -871.709 where: short stacking energy: -363.361 Base-Backbone interact. energy: -0.483 local terms energy: -398.608211 where: bonds (distance) C4'-P energy: -81.940 bonds (distance) P-C4' energy: -86.770 flat angles C4'-P-C4' energy: -83.851 flat angles P-C4'-P energy: -51.724 tors. eta vs tors. theta energy: -94.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -1077.411704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.411704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.411704 (E_RNA) where: Base-Base interactions energy: -715.276 where: short stacking energy: -318.805 Base-Backbone interact. energy: 0.948 local terms energy: -363.083975 where: bonds (distance) C4'-P energy: -85.387 bonds (distance) P-C4' energy: -72.487 flat angles C4'-P-C4' energy: -72.736 flat angles P-C4'-P energy: -53.857 tors. eta vs tors. theta energy: -78.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -763.545885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.545885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.545885 (E_RNA) where: Base-Base interactions energy: -440.685 where: short stacking energy: -204.878 Base-Backbone interact. energy: 4.132 local terms energy: -326.992828 where: bonds (distance) C4'-P energy: -92.197 bonds (distance) P-C4' energy: -82.177 flat angles C4'-P-C4' energy: -74.978 flat angles P-C4'-P energy: -56.085 tors. eta vs tors. theta energy: -21.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1932.892149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.892149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.892149 (E_RNA) where: Base-Base interactions energy: -1369.169 where: short stacking energy: -552.868 Base-Backbone interact. energy: -0.835 local terms energy: -562.887667 where: bonds (distance) C4'-P energy: -95.318 bonds (distance) P-C4' energy: -92.413 flat angles C4'-P-C4' energy: -124.570 flat angles P-C4'-P energy: -81.412 tors. eta vs tors. theta energy: -169.176 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: 8 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1806.141785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.141785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.141785 (E_RNA) where: Base-Base interactions energy: -1247.007 where: short stacking energy: -513.264 Base-Backbone interact. energy: 1.182 local terms energy: -560.317227 where: bonds (distance) C4'-P energy: -99.492 bonds (distance) P-C4' energy: -97.860 flat angles C4'-P-C4' energy: -115.392 flat angles P-C4'-P energy: -81.473 tors. eta vs tors. theta energy: -166.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1747.118054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.118054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.118054 (E_RNA) where: Base-Base interactions energy: -1217.651 where: short stacking energy: -500.293 Base-Backbone interact. energy: 0.613 local terms energy: -530.080125 where: bonds (distance) C4'-P energy: -91.179 bonds (distance) P-C4' energy: -100.860 flat angles C4'-P-C4' energy: -107.889 flat angles P-C4'-P energy: -77.960 tors. eta vs tors. theta energy: -152.192 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: 471 Temperature: 1.050000 Total energy: -1640.345445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.345445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.345445 (E_RNA) where: Base-Base interactions energy: -1128.927 where: short stacking energy: -473.275 Base-Backbone interact. energy: -2.329 local terms energy: -509.090145 where: bonds (distance) C4'-P energy: -82.911 bonds (distance) P-C4' energy: -84.506 flat angles C4'-P-C4' energy: -112.446 flat angles P-C4'-P energy: -72.686 tors. eta vs tors. theta energy: -156.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1581.668256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.668256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.668256 (E_RNA) where: Base-Base interactions energy: -1085.392 where: short stacking energy: -444.270 Base-Backbone interact. energy: -0.816 local terms energy: -495.460046 where: bonds (distance) C4'-P energy: -96.759 bonds (distance) P-C4' energy: -87.723 flat angles C4'-P-C4' energy: -104.355 flat angles P-C4'-P energy: -64.457 tors. eta vs tors. theta energy: -142.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1515.772477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.772477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.772477 (E_RNA) where: Base-Base interactions energy: -1051.398 where: short stacking energy: -416.960 Base-Backbone interact. energy: -0.071 local terms energy: -464.303391 where: bonds (distance) C4'-P energy: -74.033 bonds (distance) P-C4' energy: -84.462 flat angles C4'-P-C4' energy: -111.604 flat angles P-C4'-P energy: -67.753 tors. eta vs tors. theta energy: -126.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1388.744080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.744080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.744080 (E_RNA) where: Base-Base interactions energy: -957.444 where: short stacking energy: -402.199 Base-Backbone interact. energy: -0.456 local terms energy: -430.844470 where: bonds (distance) C4'-P energy: -70.019 bonds (distance) P-C4' energy: -77.317 flat angles C4'-P-C4' energy: -105.907 flat angles P-C4'-P energy: -63.074 tors. eta vs tors. theta energy: -114.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1277.106673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.106673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.106673 (E_RNA) where: Base-Base interactions energy: -863.757 where: short stacking energy: -351.002 Base-Backbone interact. energy: 0.805 local terms energy: -414.154954 where: bonds (distance) C4'-P energy: -84.826 bonds (distance) P-C4' energy: -72.150 flat angles C4'-P-C4' energy: -99.632 flat angles P-C4'-P energy: -62.575 tors. eta vs tors. theta energy: -94.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -1098.185339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.185339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.185339 (E_RNA) where: Base-Base interactions energy: -733.365 where: short stacking energy: -307.482 Base-Backbone interact. energy: -1.677 local terms energy: -363.143513 where: bonds (distance) C4'-P energy: -82.672 bonds (distance) P-C4' energy: -79.497 flat angles C4'-P-C4' energy: -78.321 flat angles P-C4'-P energy: -58.752 tors. eta vs tors. theta energy: -63.902 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: 10, replica: 9 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -798.973697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.973697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.973697 (E_RNA) where: Base-Base interactions energy: -490.725 where: short stacking energy: -208.897 Base-Backbone interact. energy: -2.171 local terms energy: -306.077393 where: bonds (distance) C4'-P energy: -81.976 bonds (distance) P-C4' energy: -67.532 flat angles C4'-P-C4' energy: -81.074 flat angles P-C4'-P energy: -43.785 tors. eta vs tors. theta energy: -31.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1890.412162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.412162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.412162 (E_RNA) where: Base-Base interactions energy: -1330.621 where: short stacking energy: -526.498 Base-Backbone interact. energy: 0.193 local terms energy: -559.983489 where: bonds (distance) C4'-P energy: -103.721 bonds (distance) P-C4' energy: -111.051 flat angles C4'-P-C4' energy: -113.408 flat angles P-C4'-P energy: -77.824 tors. eta vs tors. theta energy: -153.979 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: 8 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1792.865143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.865143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.865143 (E_RNA) where: Base-Base interactions energy: -1253.219 where: short stacking energy: -517.403 Base-Backbone interact. energy: -0.717 local terms energy: -538.928762 where: bonds (distance) C4'-P energy: -101.355 bonds (distance) P-C4' energy: -91.868 flat angles C4'-P-C4' energy: -105.424 flat angles P-C4'-P energy: -77.385 tors. eta vs tors. theta energy: -162.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1732.767661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.767661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.767661 (E_RNA) where: Base-Base interactions energy: -1223.784 where: short stacking energy: -473.512 Base-Backbone interact. energy: -0.636 local terms energy: -508.347508 where: bonds (distance) C4'-P energy: -94.890 bonds (distance) P-C4' energy: -83.676 flat angles C4'-P-C4' energy: -100.661 flat angles P-C4'-P energy: -81.467 tors. eta vs tors. theta energy: -147.653 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: 7 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1657.083025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.083025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.083025 (E_RNA) where: Base-Base interactions energy: -1148.077 where: short stacking energy: -480.406 Base-Backbone interact. energy: -2.872 local terms energy: -506.133996 where: bonds (distance) C4'-P energy: -83.630 bonds (distance) P-C4' energy: -93.012 flat angles C4'-P-C4' energy: -110.196 flat angles P-C4'-P energy: -70.678 tors. eta vs tors. theta energy: -148.617 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: 4 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1555.816293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.816293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.816293 (E_RNA) where: Base-Base interactions energy: -1088.432 where: short stacking energy: -460.218 Base-Backbone interact. energy: -1.570 local terms energy: -465.814666 where: bonds (distance) C4'-P energy: -74.360 bonds (distance) P-C4' energy: -73.924 flat angles C4'-P-C4' energy: -100.260 flat angles P-C4'-P energy: -75.817 tors. eta vs tors. theta energy: -141.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1473.126125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.126125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.126125 (E_RNA) where: Base-Base interactions energy: -1010.462 where: short stacking energy: -417.676 Base-Backbone interact. energy: -1.407 local terms energy: -461.257008 where: bonds (distance) C4'-P energy: -85.408 bonds (distance) P-C4' energy: -83.069 flat angles C4'-P-C4' energy: -100.833 flat angles P-C4'-P energy: -62.727 tors. eta vs tors. theta energy: -129.220 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: 1 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1395.192007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.192007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.192007 (E_RNA) where: Base-Base interactions energy: -971.542 where: short stacking energy: -404.557 Base-Backbone interact. energy: 2.118 local terms energy: -425.767824 where: bonds (distance) C4'-P energy: -78.600 bonds (distance) P-C4' energy: -62.822 flat angles C4'-P-C4' energy: -94.398 flat angles P-C4'-P energy: -79.152 tors. eta vs tors. theta energy: -110.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1274.996553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.996553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.996553 (E_RNA) where: Base-Base interactions energy: -883.611 where: short stacking energy: -371.693 Base-Backbone interact. energy: -1.268 local terms energy: -390.117504 where: bonds (distance) C4'-P energy: -76.273 bonds (distance) P-C4' energy: -83.971 flat angles C4'-P-C4' energy: -91.578 flat angles P-C4'-P energy: -49.074 tors. eta vs tors. theta energy: -89.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -1053.459522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.459522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.459522 (E_RNA) where: Base-Base interactions energy: -703.690 where: short stacking energy: -302.372 Base-Backbone interact. energy: -2.472 local terms energy: -347.297384 where: bonds (distance) C4'-P energy: -82.243 bonds (distance) P-C4' energy: -74.709 flat angles C4'-P-C4' energy: -78.038 flat angles P-C4'-P energy: -51.055 tors. eta vs tors. theta energy: -61.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -795.560740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.560740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.560740 (E_RNA) where: Base-Base interactions energy: -495.045 where: short stacking energy: -217.490 Base-Backbone interact. energy: 2.306 local terms energy: -302.821764 where: bonds (distance) C4'-P energy: -76.727 bonds (distance) P-C4' energy: -76.631 flat angles C4'-P-C4' energy: -76.446 flat angles P-C4'-P energy: -42.628 tors. eta vs tors. theta energy: -30.391 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: 2 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1886.218584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.218584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.218584 (E_RNA) where: Base-Base interactions energy: -1342.717 where: short stacking energy: -542.631 Base-Backbone interact. energy: -1.434 local terms energy: -542.067901 where: bonds (distance) C4'-P energy: -89.160 bonds (distance) P-C4' energy: -93.386 flat angles C4'-P-C4' energy: -111.155 flat angles P-C4'-P energy: -81.803 tors. eta vs tors. theta energy: -166.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1762.968584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.968584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.968584 (E_RNA) where: Base-Base interactions energy: -1238.254 where: short stacking energy: -507.436 Base-Backbone interact. energy: -0.071 local terms energy: -524.643778 where: bonds (distance) C4'-P energy: -93.512 bonds (distance) P-C4' energy: -91.242 flat angles C4'-P-C4' energy: -110.607 flat angles P-C4'-P energy: -74.649 tors. eta vs tors. theta energy: -154.634 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: 8 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1752.487303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.487303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.487303 (E_RNA) where: Base-Base interactions energy: -1255.669 where: short stacking energy: -504.238 Base-Backbone interact. energy: -1.553 local terms energy: -495.265200 where: bonds (distance) C4'-P energy: -83.189 bonds (distance) P-C4' energy: -84.378 flat angles C4'-P-C4' energy: -99.218 flat angles P-C4'-P energy: -72.454 tors. eta vs tors. theta energy: -156.027 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: 7 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -1680.828785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.828785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.828785 (E_RNA) where: Base-Base interactions energy: -1163.869 where: short stacking energy: -474.521 Base-Backbone interact. energy: -3.424 local terms energy: -513.535313 where: bonds (distance) C4'-P energy: -89.476 bonds (distance) P-C4' energy: -83.974 flat angles C4'-P-C4' energy: -104.678 flat angles P-C4'-P energy: -78.251 tors. eta vs tors. theta energy: -157.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -1537.003664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.003664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.003664 (E_RNA) where: Base-Base interactions energy: -1043.270 where: short stacking energy: -442.282 Base-Backbone interact. energy: -0.741 local terms energy: -492.992142 where: bonds (distance) C4'-P energy: -77.861 bonds (distance) P-C4' energy: -95.698 flat angles C4'-P-C4' energy: -107.748 flat angles P-C4'-P energy: -62.668 tors. eta vs tors. theta energy: -149.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1501.038453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.038453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.038453 (E_RNA) where: Base-Base interactions energy: -1027.546 where: short stacking energy: -432.666 Base-Backbone interact. energy: 0.022 local terms energy: -473.514197 where: bonds (distance) C4'-P energy: -98.295 bonds (distance) P-C4' energy: -84.704 flat angles C4'-P-C4' energy: -94.399 flat angles P-C4'-P energy: -73.062 tors. eta vs tors. theta energy: -123.055 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: 1 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1408.185328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.185328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.185328 (E_RNA) where: Base-Base interactions energy: -967.911 where: short stacking energy: -410.084 Base-Backbone interact. energy: -1.153 local terms energy: -439.121665 where: bonds (distance) C4'-P energy: -84.195 bonds (distance) P-C4' energy: -82.523 flat angles C4'-P-C4' energy: -96.070 flat angles P-C4'-P energy: -51.740 tors. eta vs tors. theta energy: -124.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1261.915937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.915937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.915937 (E_RNA) where: Base-Base interactions energy: -874.526 where: short stacking energy: -367.462 Base-Backbone interact. energy: -0.712 local terms energy: -386.677594 where: bonds (distance) C4'-P energy: -65.704 bonds (distance) P-C4' energy: -91.535 flat angles C4'-P-C4' energy: -81.457 flat angles P-C4'-P energy: -42.405 tors. eta vs tors. theta energy: -105.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -1092.575901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.575901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.575901 (E_RNA) where: Base-Base interactions energy: -700.998 where: short stacking energy: -304.775 Base-Backbone interact. energy: -1.761 local terms energy: -389.816330 where: bonds (distance) C4'-P energy: -78.705 bonds (distance) P-C4' energy: -96.370 flat angles C4'-P-C4' energy: -78.275 flat angles P-C4'-P energy: -60.000 tors. eta vs tors. theta energy: -76.465 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: 9 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -761.863278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.863278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.863278 (E_RNA) where: Base-Base interactions energy: -454.236 where: short stacking energy: -215.211 Base-Backbone interact. energy: -3.398 local terms energy: -304.228845 where: bonds (distance) C4'-P energy: -65.557 bonds (distance) P-C4' energy: -82.956 flat angles C4'-P-C4' energy: -85.923 flat angles P-C4'-P energy: -42.870 tors. eta vs tors. theta energy: -26.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1902.188027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.188027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.188027 (E_RNA) where: Base-Base interactions energy: -1342.383 where: short stacking energy: -550.506 Base-Backbone interact. energy: -0.660 local terms energy: -559.144916 where: bonds (distance) C4'-P energy: -88.042 bonds (distance) P-C4' energy: -101.089 flat angles C4'-P-C4' energy: -119.339 flat angles P-C4'-P energy: -82.903 tors. eta vs tors. theta energy: -167.772 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: 2, replica: 3 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -1768.292842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.292842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.292842 (E_RNA) where: Base-Base interactions energy: -1240.921 where: short stacking energy: -503.806 Base-Backbone interact. energy: -0.790 local terms energy: -526.582104 where: bonds (distance) C4'-P energy: -99.144 bonds (distance) P-C4' energy: -94.356 flat angles C4'-P-C4' energy: -108.323 flat angles P-C4'-P energy: -73.825 tors. eta vs tors. theta energy: -150.934 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: 8 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1760.498221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.498221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.498221 (E_RNA) where: Base-Base interactions energy: -1242.231 where: short stacking energy: -495.862 Base-Backbone interact. energy: -1.276 local terms energy: -516.990864 where: bonds (distance) C4'-P energy: -81.199 bonds (distance) P-C4' energy: -95.343 flat angles C4'-P-C4' energy: -111.316 flat angles P-C4'-P energy: -71.109 tors. eta vs tors. theta energy: -158.025 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: 7 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -1640.219625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.219625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.219625 (E_RNA) where: Base-Base interactions energy: -1130.262 where: short stacking energy: -457.441 Base-Backbone interact. energy: -2.206 local terms energy: -507.751947 where: bonds (distance) C4'-P energy: -89.060 bonds (distance) P-C4' energy: -82.266 flat angles C4'-P-C4' energy: -111.986 flat angles P-C4'-P energy: -76.023 tors. eta vs tors. theta energy: -148.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -1551.153187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.153187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.153187 (E_RNA) where: Base-Base interactions energy: -1070.774 where: short stacking energy: -440.268 Base-Backbone interact. energy: 0.662 local terms energy: -481.041528 where: bonds (distance) C4'-P energy: -84.423 bonds (distance) P-C4' energy: -89.535 flat angles C4'-P-C4' energy: -95.647 flat angles P-C4'-P energy: -71.216 tors. eta vs tors. theta energy: -140.221 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: 6 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -1459.017615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.017615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.017615 (E_RNA) where: Base-Base interactions energy: -985.632 where: short stacking energy: -393.078 Base-Backbone interact. energy: -1.614 local terms energy: -471.771590 where: bonds (distance) C4'-P energy: -81.783 bonds (distance) P-C4' energy: -86.578 flat angles C4'-P-C4' energy: -110.218 flat angles P-C4'-P energy: -67.289 tors. eta vs tors. theta energy: -125.904 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: 1 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1408.393737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.393737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.393737 (E_RNA) where: Base-Base interactions energy: -940.678 where: short stacking energy: -398.394 Base-Backbone interact. energy: -1.167 local terms energy: -466.549147 where: bonds (distance) C4'-P energy: -86.049 bonds (distance) P-C4' energy: -99.018 flat angles C4'-P-C4' energy: -99.040 flat angles P-C4'-P energy: -75.379 tors. eta vs tors. theta energy: -107.063 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: 8, replica: 5 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -1294.664596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.664596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.664596 (E_RNA) where: Base-Base interactions energy: -879.322 where: short stacking energy: -360.989 Base-Backbone interact. energy: 1.604 local terms energy: -416.946427 where: bonds (distance) C4'-P energy: -77.624 bonds (distance) P-C4' energy: -82.670 flat angles C4'-P-C4' energy: -94.062 flat angles P-C4'-P energy: -60.486 tors. eta vs tors. theta energy: -102.105 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: 9, replica: 10 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -1102.979153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.979153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.979153 (E_RNA) where: Base-Base interactions energy: -734.295 where: short stacking energy: -290.729 Base-Backbone interact. energy: 3.883 local terms energy: -372.567234 where: bonds (distance) C4'-P energy: -74.442 bonds (distance) P-C4' energy: -98.655 flat angles C4'-P-C4' energy: -69.027 flat angles P-C4'-P energy: -59.191 tors. eta vs tors. theta energy: -71.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -809.312006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.312006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.312006 (E_RNA) where: Base-Base interactions energy: -461.327 where: short stacking energy: -213.738 Base-Backbone interact. energy: -1.751 local terms energy: -346.234186 where: bonds (distance) C4'-P energy: -85.583 bonds (distance) P-C4' energy: -88.545 flat angles C4'-P-C4' energy: -85.922 flat angles P-C4'-P energy: -46.720 tors. eta vs tors. theta energy: -39.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1899.472836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.472836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.472836 (E_RNA) where: Base-Base interactions energy: -1354.254 where: short stacking energy: -555.406 Base-Backbone interact. energy: -0.754 local terms energy: -544.464880 where: bonds (distance) C4'-P energy: -94.810 bonds (distance) P-C4' energy: -96.268 flat angles C4'-P-C4' energy: -109.729 flat angles P-C4'-P energy: -77.929 tors. eta vs tors. theta energy: -165.729 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: 8 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1808.068380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.068380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.068380 (E_RNA) where: Base-Base interactions energy: -1264.725 where: short stacking energy: -514.131 Base-Backbone interact. energy: -0.133 local terms energy: -543.211012 where: bonds (distance) C4'-P energy: -89.946 bonds (distance) P-C4' energy: -98.045 flat angles C4'-P-C4' energy: -118.677 flat angles P-C4'-P energy: -78.746 tors. eta vs tors. theta energy: -157.797 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: 3, replica: 3 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1740.278280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.278280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.278280 (E_RNA) where: Base-Base interactions energy: -1226.361 where: short stacking energy: -503.988 Base-Backbone interact. energy: 1.177 local terms energy: -515.094670 where: bonds (distance) C4'-P energy: -85.717 bonds (distance) P-C4' energy: -93.938 flat angles C4'-P-C4' energy: -111.782 flat angles P-C4'-P energy: -67.857 tors. eta vs tors. theta energy: -155.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1676.785827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.785827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.785827 (E_RNA) where: Base-Base interactions energy: -1173.134 where: short stacking energy: -485.084 Base-Backbone interact. energy: -1.617 local terms energy: -502.035020 where: bonds (distance) C4'-P energy: -88.039 bonds (distance) P-C4' energy: -89.918 flat angles C4'-P-C4' energy: -101.920 flat angles P-C4'-P energy: -64.659 tors. eta vs tors. theta energy: -157.499 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: 4 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -1547.627417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.627417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.627417 (E_RNA) where: Base-Base interactions energy: -1063.158 where: short stacking energy: -442.584 Base-Backbone interact. energy: -2.801 local terms energy: -481.668286 where: bonds (distance) C4'-P energy: -81.911 bonds (distance) P-C4' energy: -95.007 flat angles C4'-P-C4' energy: -109.911 flat angles P-C4'-P energy: -59.496 tors. eta vs tors. theta energy: -135.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -1438.488077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.488077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.488077 (E_RNA) where: Base-Base interactions energy: -991.508 where: short stacking energy: -407.632 Base-Backbone interact. energy: -1.563 local terms energy: -445.416987 where: bonds (distance) C4'-P energy: -91.907 bonds (distance) P-C4' energy: -92.468 flat angles C4'-P-C4' energy: -92.618 flat angles P-C4'-P energy: -56.627 tors. eta vs tors. theta energy: -111.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -1431.656091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.656091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.656091 (E_RNA) where: Base-Base interactions energy: -984.779 where: short stacking energy: -399.833 Base-Backbone interact. energy: -0.381 local terms energy: -446.495309 where: bonds (distance) C4'-P energy: -79.125 bonds (distance) P-C4' energy: -84.783 flat angles C4'-P-C4' energy: -98.996 flat angles P-C4'-P energy: -70.765 tors. eta vs tors. theta energy: -112.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -1286.741262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.741262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.741262 (E_RNA) where: Base-Base interactions energy: -883.036 where: short stacking energy: -371.139 Base-Backbone interact. energy: -1.282 local terms energy: -402.423875 where: bonds (distance) C4'-P energy: -78.917 bonds (distance) P-C4' energy: -67.056 flat angles C4'-P-C4' energy: -105.127 flat angles P-C4'-P energy: -57.145 tors. eta vs tors. theta energy: -94.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -1058.237524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.237524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.237524 (E_RNA) where: Base-Base interactions energy: -703.466 where: short stacking energy: -296.035 Base-Backbone interact. energy: -1.678 local terms energy: -353.093174 where: bonds (distance) C4'-P energy: -94.441 bonds (distance) P-C4' energy: -66.108 flat angles C4'-P-C4' energy: -84.669 flat angles P-C4'-P energy: -49.162 tors. eta vs tors. theta energy: -58.713 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: 10, replica: 9 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -814.676637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.676637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.676637 (E_RNA) where: Base-Base interactions energy: -503.645 where: short stacking energy: -208.915 Base-Backbone interact. energy: -2.247 local terms energy: -308.784459 where: bonds (distance) C4'-P energy: -93.117 bonds (distance) P-C4' energy: -66.890 flat angles C4'-P-C4' energy: -83.278 flat angles P-C4'-P energy: -41.303 tors. eta vs tors. theta energy: -24.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1882.455578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.455578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.455578 (E_RNA) where: Base-Base interactions energy: -1325.231 where: short stacking energy: -543.323 Base-Backbone interact. energy: -0.410 local terms energy: -556.815398 where: bonds (distance) C4'-P energy: -97.931 bonds (distance) P-C4' energy: -106.780 flat angles C4'-P-C4' energy: -103.616 flat angles P-C4'-P energy: -84.861 tors. eta vs tors. theta energy: -163.627 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: 2, replica: 8 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1794.902838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.902838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.902838 (E_RNA) where: Base-Base interactions energy: -1254.350 where: short stacking energy: -503.402 Base-Backbone interact. energy: -0.606 local terms energy: -539.946548 where: bonds (distance) C4'-P energy: -90.265 bonds (distance) P-C4' energy: -100.959 flat angles C4'-P-C4' energy: -109.418 flat angles P-C4'-P energy: -81.280 tors. eta vs tors. theta energy: -158.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -1738.070915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.070915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.070915 (E_RNA) where: Base-Base interactions energy: -1205.668 where: short stacking energy: -500.797 Base-Backbone interact. energy: -0.296 local terms energy: -532.106585 where: bonds (distance) C4'-P energy: -93.957 bonds (distance) P-C4' energy: -94.149 flat angles C4'-P-C4' energy: -112.655 flat angles P-C4'-P energy: -79.199 tors. eta vs tors. theta energy: -152.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -1683.492189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.492189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.492189 (E_RNA) where: Base-Base interactions energy: -1184.744 where: short stacking energy: -482.863 Base-Backbone interact. energy: 0.590 local terms energy: -499.337906 where: bonds (distance) C4'-P energy: -78.808 bonds (distance) P-C4' energy: -99.996 flat angles C4'-P-C4' energy: -97.127 flat angles P-C4'-P energy: -64.806 tors. eta vs tors. theta energy: -158.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -1503.791920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.791920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.791920 (E_RNA) where: Base-Base interactions energy: -1028.595 where: short stacking energy: -439.956 Base-Backbone interact. energy: 0.515 local terms energy: -475.712120 where: bonds (distance) C4'-P energy: -78.359 bonds (distance) P-C4' energy: -90.329 flat angles C4'-P-C4' energy: -101.511 flat angles P-C4'-P energy: -81.744 tors. eta vs tors. theta energy: -123.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -1496.214175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.214175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.214175 (E_RNA) where: Base-Base interactions energy: -1033.551 where: short stacking energy: -421.225 Base-Backbone interact. energy: 0.930 local terms energy: -463.593173 where: bonds (distance) C4'-P energy: -81.750 bonds (distance) P-C4' energy: -94.027 flat angles C4'-P-C4' energy: -97.461 flat angles P-C4'-P energy: -64.713 tors. eta vs tors. theta energy: -125.642 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: 5 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -1354.570616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.570616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.570616 (E_RNA) where: Base-Base interactions energy: -905.628 where: short stacking energy: -385.968 Base-Backbone interact. energy: 0.676 local terms energy: -449.618815 where: bonds (distance) C4'-P energy: -72.371 bonds (distance) P-C4' energy: -93.650 flat angles C4'-P-C4' energy: -100.126 flat angles P-C4'-P energy: -62.220 tors. eta vs tors. theta energy: -121.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -1399.550659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.550659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.550659 (E_RNA) where: Base-Base interactions energy: -982.087 where: short stacking energy: -380.708 Base-Backbone interact. energy: -2.179 local terms energy: -415.284660 where: bonds (distance) C4'-P energy: -85.206 bonds (distance) P-C4' energy: -55.000 flat angles C4'-P-C4' energy: -97.061 flat angles P-C4'-P energy: -53.416 tors. eta vs tors. theta energy: -124.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -1075.674263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.674263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.674263 (E_RNA) where: Base-Base interactions energy: -714.492 where: short stacking energy: -300.056 Base-Backbone interact. energy: -2.327 local terms energy: -358.855094 where: bonds (distance) C4'-P energy: -77.748 bonds (distance) P-C4' energy: -64.873 flat angles C4'-P-C4' energy: -87.536 flat angles P-C4'-P energy: -48.385 tors. eta vs tors. theta energy: -80.314 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: 9 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -788.735812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.735812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.735812 (E_RNA) where: Base-Base interactions energy: -446.152 where: short stacking energy: -203.386 Base-Backbone interact. energy: -1.450 local terms energy: -341.133598 where: bonds (distance) C4'-P energy: -85.308 bonds (distance) P-C4' energy: -86.108 flat angles C4'-P-C4' energy: -88.920 flat angles P-C4'-P energy: -50.879 tors. eta vs tors. theta energy: -29.919 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: 2 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1868.623588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.623588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.623588 (E_RNA) where: Base-Base interactions energy: -1321.270 where: short stacking energy: -532.653 Base-Backbone interact. energy: -0.129 local terms energy: -547.224890 where: bonds (distance) C4'-P energy: -79.676 bonds (distance) P-C4' energy: -105.524 flat angles C4'-P-C4' energy: -114.194 flat angles P-C4'-P energy: -84.723 tors. eta vs tors. theta energy: -163.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -1783.274909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.274909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.274909 (E_RNA) where: Base-Base interactions energy: -1254.237 where: short stacking energy: -502.208 Base-Backbone interact. energy: 2.609 local terms energy: -531.646717 where: bonds (distance) C4'-P energy: -93.077 bonds (distance) P-C4' energy: -94.349 flat angles C4'-P-C4' energy: -108.268 flat angles P-C4'-P energy: -80.440 tors. eta vs tors. theta energy: -155.512 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: 8 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -1757.319983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.319983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.319983 (E_RNA) where: Base-Base interactions energy: -1222.435 where: short stacking energy: -517.253 Base-Backbone interact. energy: 0.591 local terms energy: -535.476471 where: bonds (distance) C4'-P energy: -85.589 bonds (distance) P-C4' energy: -97.088 flat angles C4'-P-C4' energy: -111.417 flat angles P-C4'-P energy: -84.129 tors. eta vs tors. theta energy: -157.254 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: 477 Temperature: 1.050000 Total energy: -1678.814617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.814617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.814617 (E_RNA) where: Base-Base interactions energy: -1171.722 where: short stacking energy: -469.765 Base-Backbone interact. energy: -2.594 local terms energy: -504.498192 where: bonds (distance) C4'-P energy: -94.326 bonds (distance) P-C4' energy: -80.074 flat angles C4'-P-C4' energy: -100.075 flat angles P-C4'-P energy: -64.990 tors. eta vs tors. theta energy: -165.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -1482.813002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.813002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.813002 (E_RNA) where: Base-Base interactions energy: -1012.188 where: short stacking energy: -443.903 Base-Backbone interact. energy: -1.282 local terms energy: -469.343086 where: bonds (distance) C4'-P energy: -87.294 bonds (distance) P-C4' energy: -84.877 flat angles C4'-P-C4' energy: -98.371 flat angles P-C4'-P energy: -69.240 tors. eta vs tors. theta energy: -129.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -1501.472402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.472402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.472402 (E_RNA) where: Base-Base interactions energy: -1037.585 where: short stacking energy: -424.890 Base-Backbone interact. energy: -0.752 local terms energy: -463.136090 where: bonds (distance) C4'-P energy: -76.721 bonds (distance) P-C4' energy: -82.302 flat angles C4'-P-C4' energy: -100.547 flat angles P-C4'-P energy: -75.499 tors. eta vs tors. theta energy: -128.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1321.498373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.498373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.498373 (E_RNA) where: Base-Base interactions energy: -891.691 where: short stacking energy: -383.153 Base-Backbone interact. energy: 3.446 local terms energy: -433.253715 where: bonds (distance) C4'-P energy: -85.315 bonds (distance) P-C4' energy: -84.784 flat angles C4'-P-C4' energy: -89.028 flat angles P-C4'-P energy: -67.406 tors. eta vs tors. theta energy: -106.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -1435.356771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.356771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.356771 (E_RNA) where: Base-Base interactions energy: -992.748 where: short stacking energy: -405.364 Base-Backbone interact. energy: 0.057 local terms energy: -442.666141 where: bonds (distance) C4'-P energy: -71.213 bonds (distance) P-C4' energy: -81.343 flat angles C4'-P-C4' energy: -97.574 flat angles P-C4'-P energy: -74.484 tors. eta vs tors. theta energy: -118.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -1104.766253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.766253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.766253 (E_RNA) where: Base-Base interactions energy: -739.010 where: short stacking energy: -326.485 Base-Backbone interact. energy: 3.211 local terms energy: -368.967096 where: bonds (distance) C4'-P energy: -67.106 bonds (distance) P-C4' energy: -83.300 flat angles C4'-P-C4' energy: -74.725 flat angles P-C4'-P energy: -57.683 tors. eta vs tors. theta energy: -86.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -786.341790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.341790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.341790 (E_RNA) where: Base-Base interactions energy: -486.085 where: short stacking energy: -219.685 Base-Backbone interact. energy: 3.458 local terms energy: -303.714134 where: bonds (distance) C4'-P energy: -73.537 bonds (distance) P-C4' energy: -76.443 flat angles C4'-P-C4' energy: -76.291 flat angles P-C4'-P energy: -46.575 tors. eta vs tors. theta energy: -30.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1913.279208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.279208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.279208 (E_RNA) where: Base-Base interactions energy: -1336.161 where: short stacking energy: -536.837 Base-Backbone interact. energy: -0.556 local terms energy: -576.562156 where: bonds (distance) C4'-P energy: -103.254 bonds (distance) P-C4' energy: -105.469 flat angles C4'-P-C4' energy: -113.732 flat angles P-C4'-P energy: -84.208 tors. eta vs tors. theta energy: -169.898 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: 3 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -1806.838722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.838722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.838722 (E_RNA) where: Base-Base interactions energy: -1267.969 where: short stacking energy: -516.860 Base-Backbone interact. energy: -1.633 local terms energy: -537.236820 where: bonds (distance) C4'-P energy: -96.047 bonds (distance) P-C4' energy: -98.656 flat angles C4'-P-C4' energy: -97.657 flat angles P-C4'-P energy: -81.890 tors. eta vs tors. theta energy: -162.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -1750.552716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.552716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.552716 (E_RNA) where: Base-Base interactions energy: -1248.711 where: short stacking energy: -492.671 Base-Backbone interact. energy: -0.795 local terms energy: -501.046397 where: bonds (distance) C4'-P energy: -84.662 bonds (distance) P-C4' energy: -89.728 flat angles C4'-P-C4' energy: -111.456 flat angles P-C4'-P energy: -69.203 tors. eta vs tors. theta energy: -145.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -1671.667928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.667928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.667928 (E_RNA) where: Base-Base interactions energy: -1153.126 where: short stacking energy: -471.797 Base-Backbone interact. energy: -2.903 local terms energy: -515.638335 where: bonds (distance) C4'-P energy: -95.027 bonds (distance) P-C4' energy: -79.146 flat angles C4'-P-C4' energy: -109.141 flat angles P-C4'-P energy: -76.017 tors. eta vs tors. theta energy: -156.308 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: 5, replica: 4 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -1538.293739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.293739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.293739 (E_RNA) where: Base-Base interactions energy: -1073.681 where: short stacking energy: -448.399 Base-Backbone interact. energy: -0.160 local terms energy: -464.452698 where: bonds (distance) C4'-P energy: -72.532 bonds (distance) P-C4' energy: -85.580 flat angles C4'-P-C4' energy: -93.017 flat angles P-C4'-P energy: -75.760 tors. eta vs tors. theta energy: -137.564 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: 1 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -1455.755861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.755861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.755861 (E_RNA) where: Base-Base interactions energy: -1003.709 where: short stacking energy: -412.312 Base-Backbone interact. energy: 1.059 local terms energy: -453.106051 where: bonds (distance) C4'-P energy: -95.246 bonds (distance) P-C4' energy: -81.534 flat angles C4'-P-C4' energy: -100.817 flat angles P-C4'-P energy: -66.091 tors. eta vs tors. theta energy: -109.418 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: 6 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -1414.717040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.717040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.717040 (E_RNA) where: Base-Base interactions energy: -1007.722 where: short stacking energy: -401.815 Base-Backbone interact. energy: -1.802 local terms energy: -405.192689 where: bonds (distance) C4'-P energy: -74.621 bonds (distance) P-C4' energy: -79.064 flat angles C4'-P-C4' energy: -87.449 flat angles P-C4'-P energy: -50.725 tors. eta vs tors. theta energy: -113.334 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: 5 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -1307.841035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.841035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.841035 (E_RNA) where: Base-Base interactions energy: -897.867 where: short stacking energy: -365.116 Base-Backbone interact. energy: -1.538 local terms energy: -408.436053 where: bonds (distance) C4'-P energy: -83.945 bonds (distance) P-C4' energy: -61.091 flat angles C4'-P-C4' energy: -94.982 flat angles P-C4'-P energy: -60.156 tors. eta vs tors. theta energy: -108.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -1132.741134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.741134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.741134 (E_RNA) where: Base-Base interactions energy: -757.358 where: short stacking energy: -324.976 Base-Backbone interact. energy: 0.642 local terms energy: -376.025478 where: bonds (distance) C4'-P energy: -68.305 bonds (distance) P-C4' energy: -71.304 flat angles C4'-P-C4' energy: -87.291 flat angles P-C4'-P energy: -62.181 tors. eta vs tors. theta energy: -86.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -766.602046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.602046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.602046 (E_RNA) where: Base-Base interactions energy: -459.506 where: short stacking energy: -231.994 Base-Backbone interact. energy: -0.792 local terms energy: -306.304703 where: bonds (distance) C4'-P energy: -71.790 bonds (distance) P-C4' energy: -72.811 flat angles C4'-P-C4' energy: -82.990 flat angles P-C4'-P energy: -41.121 tors. eta vs tors. theta energy: -37.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1928.211939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.211939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.211939 (E_RNA) where: Base-Base interactions energy: -1354.684 where: short stacking energy: -574.274 Base-Backbone interact. energy: 0.542 local terms energy: -574.070335 where: bonds (distance) C4'-P energy: -88.733 bonds (distance) P-C4' energy: -105.356 flat angles C4'-P-C4' energy: -121.780 flat angles P-C4'-P energy: -82.600 tors. eta vs tors. theta energy: -175.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -1783.759295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.759295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.759295 (E_RNA) where: Base-Base interactions energy: -1264.398 where: short stacking energy: -506.671 Base-Backbone interact. energy: -0.206 local terms energy: -519.154971 where: bonds (distance) C4'-P energy: -88.581 bonds (distance) P-C4' energy: -92.651 flat angles C4'-P-C4' energy: -104.055 flat angles P-C4'-P energy: -79.399 tors. eta vs tors. theta energy: -154.469 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: 3 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1780.726901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.726901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.726901 (E_RNA) where: Base-Base interactions energy: -1254.624 where: short stacking energy: -509.500 Base-Backbone interact. energy: 1.310 local terms energy: -527.412289 where: bonds (distance) C4'-P energy: -95.473 bonds (distance) P-C4' energy: -91.385 flat angles C4'-P-C4' energy: -110.451 flat angles P-C4'-P energy: -75.017 tors. eta vs tors. theta energy: -155.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -1668.917850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.917850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.917850 (E_RNA) where: Base-Base interactions energy: -1166.642 where: short stacking energy: -464.062 Base-Backbone interact. energy: -0.572 local terms energy: -501.703787 where: bonds (distance) C4'-P energy: -73.863 bonds (distance) P-C4' energy: -82.213 flat angles C4'-P-C4' energy: -111.829 flat angles P-C4'-P energy: -78.408 tors. eta vs tors. theta energy: -155.391 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: 5, replica: 4 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -1532.846135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.846135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.846135 (E_RNA) where: Base-Base interactions energy: -1059.087 where: short stacking energy: -453.340 Base-Backbone interact. energy: -1.616 local terms energy: -472.143117 where: bonds (distance) C4'-P energy: -85.475 bonds (distance) P-C4' energy: -76.380 flat angles C4'-P-C4' energy: -95.843 flat angles P-C4'-P energy: -76.380 tors. eta vs tors. theta energy: -138.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -1433.227660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.227660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.227660 (E_RNA) where: Base-Base interactions energy: -982.360 where: short stacking energy: -400.867 Base-Backbone interact. energy: -0.932 local terms energy: -449.935004 where: bonds (distance) C4'-P energy: -72.806 bonds (distance) P-C4' energy: -83.307 flat angles C4'-P-C4' energy: -106.632 flat angles P-C4'-P energy: -68.826 tors. eta vs tors. theta energy: -118.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1448.718400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.718400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.718400 (E_RNA) where: Base-Base interactions energy: -1028.624 where: short stacking energy: -432.190 Base-Backbone interact. energy: -0.581 local terms energy: -419.513269 where: bonds (distance) C4'-P energy: -76.754 bonds (distance) P-C4' energy: -78.079 flat angles C4'-P-C4' energy: -85.563 flat angles P-C4'-P energy: -56.304 tors. eta vs tors. theta energy: -122.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -1143.721012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.721012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.721012 (E_RNA) where: Base-Base interactions energy: -757.498 where: short stacking energy: -320.001 Base-Backbone interact. energy: -0.209 local terms energy: -386.014161 where: bonds (distance) C4'-P energy: -79.681 bonds (distance) P-C4' energy: -80.272 flat angles C4'-P-C4' energy: -79.503 flat angles P-C4'-P energy: -58.733 tors. eta vs tors. theta energy: -87.825 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: 5 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -1250.431906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.431906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.431906 (E_RNA) where: Base-Base interactions energy: -846.021 where: short stacking energy: -367.071 Base-Backbone interact. energy: 1.138 local terms energy: -405.549381 where: bonds (distance) C4'-P energy: -63.783 bonds (distance) P-C4' energy: -78.420 flat angles C4'-P-C4' energy: -89.266 flat angles P-C4'-P energy: -65.133 tors. eta vs tors. theta energy: -108.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -772.354845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.354845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.354845 (E_RNA) where: Base-Base interactions energy: -463.461 where: short stacking energy: -200.534 Base-Backbone interact. energy: -0.049 local terms energy: -308.844104 where: bonds (distance) C4'-P energy: -73.967 bonds (distance) P-C4' energy: -93.404 flat angles C4'-P-C4' energy: -58.067 flat angles P-C4'-P energy: -47.404 tors. eta vs tors. theta energy: -36.002 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: 2 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -1897.795524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.795524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.795524 (E_RNA) where: Base-Base interactions energy: -1361.079 where: short stacking energy: -532.445 Base-Backbone interact. energy: -0.246 local terms energy: -536.470086 where: bonds (distance) C4'-P energy: -94.113 bonds (distance) P-C4' energy: -84.839 flat angles C4'-P-C4' energy: -122.989 flat angles P-C4'-P energy: -75.653 tors. eta vs tors. theta energy: -158.877 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: 8 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1787.291885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.291885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.291885 (E_RNA) where: Base-Base interactions energy: -1261.329 where: short stacking energy: -517.768 Base-Backbone interact. energy: -1.211 local terms energy: -524.751637 where: bonds (distance) C4'-P energy: -99.069 bonds (distance) P-C4' energy: -90.954 flat angles C4'-P-C4' energy: -105.941 flat angles P-C4'-P energy: -70.646 tors. eta vs tors. theta energy: -158.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -1762.230966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.230966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.230966 (E_RNA) where: Base-Base interactions energy: -1244.971 where: short stacking energy: -503.060 Base-Backbone interact. energy: -0.890 local terms energy: -516.370170 where: bonds (distance) C4'-P energy: -82.797 bonds (distance) P-C4' energy: -92.450 flat angles C4'-P-C4' energy: -109.902 flat angles P-C4'-P energy: -81.710 tors. eta vs tors. theta energy: -149.510 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: 7 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -1679.009150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.009150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.009150 (E_RNA) where: Base-Base interactions energy: -1175.733 where: short stacking energy: -484.158 Base-Backbone interact. energy: 0.325 local terms energy: -503.600552 where: bonds (distance) C4'-P energy: -92.409 bonds (distance) P-C4' energy: -82.151 flat angles C4'-P-C4' energy: -108.284 flat angles P-C4'-P energy: -69.564 tors. eta vs tors. theta energy: -151.193 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: 5, replica: 4 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -1547.066073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.066073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.066073 (E_RNA) where: Base-Base interactions energy: -1062.688 where: short stacking energy: -447.994 Base-Backbone interact. energy: 0.948 local terms energy: -485.325780 where: bonds (distance) C4'-P energy: -81.654 bonds (distance) P-C4' energy: -95.915 flat angles C4'-P-C4' energy: -99.598 flat angles P-C4'-P energy: -69.351 tors. eta vs tors. theta energy: -138.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -1433.968417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.968417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.968417 (E_RNA) where: Base-Base interactions energy: -981.375 where: short stacking energy: -419.032 Base-Backbone interact. energy: -0.312 local terms energy: -452.281281 where: bonds (distance) C4'-P energy: -76.076 bonds (distance) P-C4' energy: -91.871 flat angles C4'-P-C4' energy: -95.671 flat angles P-C4'-P energy: -65.343 tors. eta vs tors. theta energy: -123.320 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: 7, replica: 6 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -1384.893091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.893091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.893091 (E_RNA) where: Base-Base interactions energy: -970.051 where: short stacking energy: -388.332 Base-Backbone interact. energy: 7.360 local terms energy: -422.202061 where: bonds (distance) C4'-P energy: -83.275 bonds (distance) P-C4' energy: -81.607 flat angles C4'-P-C4' energy: -89.881 flat angles P-C4'-P energy: -57.389 tors. eta vs tors. theta energy: -110.050 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: 10 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -1096.115700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.115700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.115700 (E_RNA) where: Base-Base interactions energy: -722.218 where: short stacking energy: -317.766 Base-Backbone interact. energy: -1.262 local terms energy: -372.635821 where: bonds (distance) C4'-P energy: -79.653 bonds (distance) P-C4' energy: -70.040 flat angles C4'-P-C4' energy: -84.596 flat angles P-C4'-P energy: -62.037 tors. eta vs tors. theta energy: -76.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -1258.340249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.340249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.340249 (E_RNA) where: Base-Base interactions energy: -856.177 where: short stacking energy: -357.889 Base-Backbone interact. energy: 0.576 local terms energy: -402.739491 where: bonds (distance) C4'-P energy: -86.476 bonds (distance) P-C4' energy: -84.677 flat angles C4'-P-C4' energy: -89.759 flat angles P-C4'-P energy: -46.883 tors. eta vs tors. theta energy: -94.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -814.396357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.396357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.396357 (E_RNA) where: Base-Base interactions energy: -492.048 where: short stacking energy: -228.368 Base-Backbone interact. energy: -0.705 local terms energy: -321.643205 where: bonds (distance) C4'-P energy: -82.168 bonds (distance) P-C4' energy: -85.092 flat angles C4'-P-C4' energy: -75.116 flat angles P-C4'-P energy: -38.849 tors. eta vs tors. theta energy: -40.417 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: 2 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -1907.951981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.951981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.951981 (E_RNA) where: Base-Base interactions energy: -1335.144 where: short stacking energy: -529.109 Base-Backbone interact. energy: 1.440 local terms energy: -574.248252 where: bonds (distance) C4'-P energy: -101.440 bonds (distance) P-C4' energy: -108.393 flat angles C4'-P-C4' energy: -109.841 flat angles P-C4'-P energy: -84.732 tors. eta vs tors. theta energy: -169.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -1794.316699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.316699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.316699 (E_RNA) where: Base-Base interactions energy: -1254.854 where: short stacking energy: -499.112 Base-Backbone interact. energy: -0.569 local terms energy: -538.893332 where: bonds (distance) C4'-P energy: -92.064 bonds (distance) P-C4' energy: -109.899 flat angles C4'-P-C4' energy: -112.380 flat angles P-C4'-P energy: -76.751 tors. eta vs tors. theta energy: -147.799 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: 3, replica: 8 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -1744.585644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.585644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.585644 (E_RNA) where: Base-Base interactions energy: -1228.459 where: short stacking energy: -495.903 Base-Backbone interact. energy: -2.189 local terms energy: -513.937293 where: bonds (distance) C4'-P energy: -82.456 bonds (distance) P-C4' energy: -96.549 flat angles C4'-P-C4' energy: -109.138 flat angles P-C4'-P energy: -70.683 tors. eta vs tors. theta energy: -155.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -1682.486736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.486736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.486736 (E_RNA) where: Base-Base interactions energy: -1176.807 where: short stacking energy: -467.560 Base-Backbone interact. energy: -1.995 local terms energy: -503.684337 where: bonds (distance) C4'-P energy: -76.665 bonds (distance) P-C4' energy: -90.185 flat angles C4'-P-C4' energy: -113.670 flat angles P-C4'-P energy: -71.449 tors. eta vs tors. theta energy: -151.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -1551.472614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.472614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.472614 (E_RNA) where: Base-Base interactions energy: -1063.317 where: short stacking energy: -424.676 Base-Backbone interact. energy: -4.318 local terms energy: -483.837592 where: bonds (distance) C4'-P energy: -97.577 bonds (distance) P-C4' energy: -96.271 flat angles C4'-P-C4' energy: -87.488 flat angles P-C4'-P energy: -68.881 tors. eta vs tors. theta energy: -133.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -1445.678371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.678371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.678371 (E_RNA) where: Base-Base interactions energy: -998.785 where: short stacking energy: -406.206 Base-Backbone interact. energy: 0.977 local terms energy: -447.870125 where: bonds (distance) C4'-P energy: -86.731 bonds (distance) P-C4' energy: -90.659 flat angles C4'-P-C4' energy: -106.364 flat angles P-C4'-P energy: -52.685 tors. eta vs tors. theta energy: -111.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -1349.754053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.754053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.754053 (E_RNA) where: Base-Base interactions energy: -917.435 where: short stacking energy: -396.199 Base-Backbone interact. energy: -0.751 local terms energy: -431.568274 where: bonds (distance) C4'-P energy: -66.180 bonds (distance) P-C4' energy: -81.876 flat angles C4'-P-C4' energy: -99.234 flat angles P-C4'-P energy: -67.202 tors. eta vs tors. theta energy: -117.077 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: 8, replica: 5 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -1298.589161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.589161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.589161 (E_RNA) where: Base-Base interactions energy: -887.285 where: short stacking energy: -362.973 Base-Backbone interact. energy: -1.998 local terms energy: -409.305933 where: bonds (distance) C4'-P energy: -79.634 bonds (distance) P-C4' energy: -77.427 flat angles C4'-P-C4' energy: -94.352 flat angles P-C4'-P energy: -64.883 tors. eta vs tors. theta energy: -93.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -1075.331768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.331768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.331768 (E_RNA) where: Base-Base interactions energy: -708.913 where: short stacking energy: -303.430 Base-Backbone interact. energy: -0.718 local terms energy: -365.701174 where: bonds (distance) C4'-P energy: -81.863 bonds (distance) P-C4' energy: -74.588 flat angles C4'-P-C4' energy: -67.852 flat angles P-C4'-P energy: -62.507 tors. eta vs tors. theta energy: -78.891 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: 10, replica: 9 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -791.354702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.354702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.354702 (E_RNA) where: Base-Base interactions energy: -502.326 where: short stacking energy: -224.126 Base-Backbone interact. energy: -1.684 local terms energy: -287.344539 where: bonds (distance) C4'-P energy: -68.873 bonds (distance) P-C4' energy: -84.165 flat angles C4'-P-C4' energy: -61.372 flat angles P-C4'-P energy: -46.146 tors. eta vs tors. theta energy: -26.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -1920.109383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.109383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.109383 (E_RNA) where: Base-Base interactions energy: -1357.841 where: short stacking energy: -554.253 Base-Backbone interact. energy: -0.344 local terms energy: -561.925201 where: bonds (distance) C4'-P energy: -92.075 bonds (distance) P-C4' energy: -100.327 flat angles C4'-P-C4' energy: -114.522 flat angles P-C4'-P energy: -84.560 tors. eta vs tors. theta energy: -170.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -1811.598786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.598786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.598786 (E_RNA) where: Base-Base interactions energy: -1285.017 where: short stacking energy: -517.637 Base-Backbone interact. energy: -0.129 local terms energy: -526.452281 where: bonds (distance) C4'-P energy: -91.123 bonds (distance) P-C4' energy: -99.403 flat angles C4'-P-C4' energy: -109.275 flat angles P-C4'-P energy: -66.018 tors. eta vs tors. theta energy: -160.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -1740.296134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.296134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.296134 (E_RNA) where: Base-Base interactions energy: -1235.837 where: short stacking energy: -500.937 Base-Backbone interact. energy: -1.372 local terms energy: -503.087471 where: bonds (distance) C4'-P energy: -77.860 bonds (distance) P-C4' energy: -92.928 flat angles C4'-P-C4' energy: -102.337 flat angles P-C4'-P energy: -69.199 tors. eta vs tors. theta energy: -160.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -1657.893911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.893911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.893911 (E_RNA) where: Base-Base interactions energy: -1139.362 where: short stacking energy: -463.024 Base-Backbone interact. energy: -0.721 local terms energy: -517.810684 where: bonds (distance) C4'-P energy: -86.211 bonds (distance) P-C4' energy: -90.281 flat angles C4'-P-C4' energy: -114.165 flat angles P-C4'-P energy: -67.644 tors. eta vs tors. theta energy: -159.509 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: 4 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -1560.475942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.475942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.475942 (E_RNA) where: Base-Base interactions energy: -1054.114 where: short stacking energy: -449.575 Base-Backbone interact. energy: -0.655 local terms energy: -505.707634 where: bonds (distance) C4'-P energy: -88.258 bonds (distance) P-C4' energy: -88.782 flat angles C4'-P-C4' energy: -104.519 flat angles P-C4'-P energy: -81.735 tors. eta vs tors. theta energy: -142.413 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: 6 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1493.051848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.051848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.051848 (E_RNA) where: Base-Base interactions energy: -1037.764 where: short stacking energy: -404.242 Base-Backbone interact. energy: -0.777 local terms energy: -454.510900 where: bonds (distance) C4'-P energy: -88.191 bonds (distance) P-C4' energy: -97.838 flat angles C4'-P-C4' energy: -97.747 flat angles P-C4'-P energy: -57.755 tors. eta vs tors. theta energy: -112.979 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: 7, replica: 1 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -1326.990240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.990240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.990240 (E_RNA) where: Base-Base interactions energy: -903.853 where: short stacking energy: -382.531 Base-Backbone interact. energy: -1.572 local terms energy: -421.564643 where: bonds (distance) C4'-P energy: -78.951 bonds (distance) P-C4' energy: -80.273 flat angles C4'-P-C4' energy: -89.096 flat angles P-C4'-P energy: -56.838 tors. eta vs tors. theta energy: -116.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -1292.527557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.527557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.527557 (E_RNA) where: Base-Base interactions energy: -884.635 where: short stacking energy: -375.527 Base-Backbone interact. energy: -0.455 local terms energy: -407.438113 where: bonds (distance) C4'-P energy: -74.114 bonds (distance) P-C4' energy: -75.842 flat angles C4'-P-C4' energy: -92.920 flat angles P-C4'-P energy: -50.641 tors. eta vs tors. theta energy: -113.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -1105.137130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.137130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.137130 (E_RNA) where: Base-Base interactions energy: -707.703 where: short stacking energy: -300.419 Base-Backbone interact. energy: -0.497 local terms energy: -396.937769 where: bonds (distance) C4'-P energy: -78.351 bonds (distance) P-C4' energy: -96.596 flat angles C4'-P-C4' energy: -89.194 flat angles P-C4'-P energy: -58.538 tors. eta vs tors. theta energy: -74.258 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: 10, replica: 9 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -754.076162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.076162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.076162 (E_RNA) where: Base-Base interactions energy: -466.406 where: short stacking energy: -221.582 Base-Backbone interact. energy: 3.739 local terms energy: -291.408954 where: bonds (distance) C4'-P energy: -74.735 bonds (distance) P-C4' energy: -77.236 flat angles C4'-P-C4' energy: -85.467 flat angles P-C4'-P energy: -28.450 tors. eta vs tors. theta energy: -25.520 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: 2 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -1899.306522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.306522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.306522 (E_RNA) where: Base-Base interactions energy: -1359.610 where: short stacking energy: -544.375 Base-Backbone interact. energy: 1.724 local terms energy: -541.420124 where: bonds (distance) C4'-P energy: -91.299 bonds (distance) P-C4' energy: -101.689 flat angles C4'-P-C4' energy: -114.109 flat angles P-C4'-P energy: -71.873 tors. eta vs tors. theta energy: -162.450 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: 2, replica: 3 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -1801.870321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.870321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.870321 (E_RNA) where: Base-Base interactions energy: -1270.804 where: short stacking energy: -511.140 Base-Backbone interact. energy: -0.552 local terms energy: -530.513685 where: bonds (distance) C4'-P energy: -84.711 bonds (distance) P-C4' energy: -97.665 flat angles C4'-P-C4' energy: -116.274 flat angles P-C4'-P energy: -82.296 tors. eta vs tors. theta energy: -149.568 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: 8 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -1756.583837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.583837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.583837 (E_RNA) where: Base-Base interactions energy: -1231.681 where: short stacking energy: -481.361 Base-Backbone interact. energy: 0.598 local terms energy: -525.500723 where: bonds (distance) C4'-P energy: -93.364 bonds (distance) P-C4' energy: -103.905 flat angles C4'-P-C4' energy: -97.043 flat angles P-C4'-P energy: -72.014 tors. eta vs tors. theta energy: -159.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -1697.828295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.828295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.828295 (E_RNA) where: Base-Base interactions energy: -1194.436 where: short stacking energy: -480.933 Base-Backbone interact. energy: 0.817 local terms energy: -504.210082 where: bonds (distance) C4'-P energy: -75.330 bonds (distance) P-C4' energy: -95.445 flat angles C4'-P-C4' energy: -102.842 flat angles P-C4'-P energy: -75.130 tors. eta vs tors. theta energy: -155.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -1548.604662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.604662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.604662 (E_RNA) where: Base-Base interactions energy: -1076.408 where: short stacking energy: -450.556 Base-Backbone interact. energy: -1.231 local terms energy: -470.965780 where: bonds (distance) C4'-P energy: -85.796 bonds (distance) P-C4' energy: -92.534 flat angles C4'-P-C4' energy: -94.913 flat angles P-C4'-P energy: -70.228 tors. eta vs tors. theta energy: -127.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -1509.683211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.683211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.683211 (E_RNA) where: Base-Base interactions energy: -1045.258 where: short stacking energy: -427.658 Base-Backbone interact. energy: -1.621 local terms energy: -462.804707 where: bonds (distance) C4'-P energy: -89.259 bonds (distance) P-C4' energy: -76.999 flat angles C4'-P-C4' energy: -101.041 flat angles P-C4'-P energy: -64.611 tors. eta vs tors. theta energy: -130.895 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: 1 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -1347.455985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.455985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.455985 (E_RNA) where: Base-Base interactions energy: -931.934 where: short stacking energy: -392.088 Base-Backbone interact. energy: -1.806 local terms energy: -413.715621 where: bonds (distance) C4'-P energy: -83.092 bonds (distance) P-C4' energy: -87.538 flat angles C4'-P-C4' energy: -90.186 flat angles P-C4'-P energy: -52.425 tors. eta vs tors. theta energy: -100.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -1275.434053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.434053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.434053 (E_RNA) where: Base-Base interactions energy: -870.735 where: short stacking energy: -371.712 Base-Backbone interact. energy: -0.026 local terms energy: -404.673638 where: bonds (distance) C4'-P energy: -80.692 bonds (distance) P-C4' energy: -71.464 flat angles C4'-P-C4' energy: -92.254 flat angles P-C4'-P energy: -55.276 tors. eta vs tors. theta energy: -104.987 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: 10 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -1108.749923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.749923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.749923 (E_RNA) where: Base-Base interactions energy: -729.546 where: short stacking energy: -304.243 Base-Backbone interact. energy: 1.454 local terms energy: -380.657503 where: bonds (distance) C4'-P energy: -79.440 bonds (distance) P-C4' energy: -75.418 flat angles C4'-P-C4' energy: -93.019 flat angles P-C4'-P energy: -57.434 tors. eta vs tors. theta energy: -75.346 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: 9 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -765.820859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.820859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.820859 (E_RNA) where: Base-Base interactions energy: -477.142 where: short stacking energy: -210.911 Base-Backbone interact. energy: 0.179 local terms energy: -288.858042 where: bonds (distance) C4'-P energy: -72.414 bonds (distance) P-C4' energy: -79.690 flat angles C4'-P-C4' energy: -66.676 flat angles P-C4'-P energy: -40.767 tors. eta vs tors. theta energy: -29.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -1899.147126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.147126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.147126 (E_RNA) where: Base-Base interactions energy: -1341.896 where: short stacking energy: -550.522 Base-Backbone interact. energy: -1.532 local terms energy: -555.719224 where: bonds (distance) C4'-P energy: -93.751 bonds (distance) P-C4' energy: -103.665 flat angles C4'-P-C4' energy: -112.646 flat angles P-C4'-P energy: -82.766 tors. eta vs tors. theta energy: -162.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -1789.981004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.981004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.981004 (E_RNA) where: Base-Base interactions energy: -1251.482 where: short stacking energy: -514.489 Base-Backbone interact. energy: 0.049 local terms energy: -538.548648 where: bonds (distance) C4'-P energy: -104.782 bonds (distance) P-C4' energy: -92.195 flat angles C4'-P-C4' energy: -113.495 flat angles P-C4'-P energy: -72.449 tors. eta vs tors. theta energy: -155.627 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: 8 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -1759.634869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.634869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.634869 (E_RNA) where: Base-Base interactions energy: -1256.341 where: short stacking energy: -516.483 Base-Backbone interact. energy: -1.467 local terms energy: -501.826660 where: bonds (distance) C4'-P energy: -81.862 bonds (distance) P-C4' energy: -82.918 flat angles C4'-P-C4' energy: -109.078 flat angles P-C4'-P energy: -71.183 tors. eta vs tors. theta energy: -156.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -1682.079408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.079408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.079408 (E_RNA) where: Base-Base interactions energy: -1160.075 where: short stacking energy: -477.270 Base-Backbone interact. energy: -3.154 local terms energy: -518.849981 where: bonds (distance) C4'-P energy: -89.150 bonds (distance) P-C4' energy: -99.999 flat angles C4'-P-C4' energy: -106.059 flat angles P-C4'-P energy: -70.611 tors. eta vs tors. theta energy: -153.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -1559.825651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.825651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.825651 (E_RNA) where: Base-Base interactions energy: -1085.825 where: short stacking energy: -433.201 Base-Backbone interact. energy: 1.264 local terms energy: -475.264692 where: bonds (distance) C4'-P energy: -82.781 bonds (distance) P-C4' energy: -88.836 flat angles C4'-P-C4' energy: -102.917 flat angles P-C4'-P energy: -60.739 tors. eta vs tors. theta energy: -139.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -1487.561981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.561981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.561981 (E_RNA) where: Base-Base interactions energy: -1027.328 where: short stacking energy: -414.286 Base-Backbone interact. energy: -1.532 local terms energy: -458.701947 where: bonds (distance) C4'-P energy: -93.193 bonds (distance) P-C4' energy: -84.577 flat angles C4'-P-C4' energy: -99.684 flat angles P-C4'-P energy: -62.354 tors. eta vs tors. theta energy: -118.893 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: 5 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -1302.199000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.199000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.199000 (E_RNA) where: Base-Base interactions energy: -887.464 where: short stacking energy: -385.877 Base-Backbone interact. energy: -0.288 local terms energy: -414.446900 where: bonds (distance) C4'-P energy: -83.256 bonds (distance) P-C4' energy: -77.347 flat angles C4'-P-C4' energy: -84.235 flat angles P-C4'-P energy: -62.237 tors. eta vs tors. theta energy: -107.372 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: 8, replica: 1 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -1254.018613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.018613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.018613 (E_RNA) where: Base-Base interactions energy: -844.454 where: short stacking energy: -350.405 Base-Backbone interact. energy: -1.087 local terms energy: -408.476994 where: bonds (distance) C4'-P energy: -74.109 bonds (distance) P-C4' energy: -81.232 flat angles C4'-P-C4' energy: -97.517 flat angles P-C4'-P energy: -66.777 tors. eta vs tors. theta energy: -88.842 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: 10 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -1100.355752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.355752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.355752 (E_RNA) where: Base-Base interactions energy: -729.659 where: short stacking energy: -317.366 Base-Backbone interact. energy: 0.127 local terms energy: -370.823726 where: bonds (distance) C4'-P energy: -73.268 bonds (distance) P-C4' energy: -87.252 flat angles C4'-P-C4' energy: -94.946 flat angles P-C4'-P energy: -43.242 tors. eta vs tors. theta energy: -72.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -743.839845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.839845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.839845 (E_RNA) where: Base-Base interactions energy: -449.382 where: short stacking energy: -213.294 Base-Backbone interact. energy: -2.732 local terms energy: -291.725028 where: bonds (distance) C4'-P energy: -78.174 bonds (distance) P-C4' energy: -85.650 flat angles C4'-P-C4' energy: -64.363 flat angles P-C4'-P energy: -38.408 tors. eta vs tors. theta energy: -25.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -1912.541503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.541503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.541503 (E_RNA) where: Base-Base interactions energy: -1348.111 where: short stacking energy: -548.320 Base-Backbone interact. energy: -0.651 local terms energy: -563.779859 where: bonds (distance) C4'-P energy: -98.870 bonds (distance) P-C4' energy: -100.828 flat angles C4'-P-C4' energy: -117.290 flat angles P-C4'-P energy: -81.632 tors. eta vs tors. theta energy: -165.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -1800.315877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.315877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.315877 (E_RNA) where: Base-Base interactions energy: -1260.416 where: short stacking energy: -512.553 Base-Backbone interact. energy: -0.837 local terms energy: -539.062811 where: bonds (distance) C4'-P energy: -102.224 bonds (distance) P-C4' energy: -92.759 flat angles C4'-P-C4' energy: -117.093 flat angles P-C4'-P energy: -74.083 tors. eta vs tors. theta energy: -152.903 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: 485 Temperature: 1.000000 Total energy: -1750.284263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.284263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.284263 (E_RNA) where: Base-Base interactions energy: -1218.750 where: short stacking energy: -494.958 Base-Backbone interact. energy: -0.463 local terms energy: -531.071958 where: bonds (distance) C4'-P energy: -89.858 bonds (distance) P-C4' energy: -98.598 flat angles C4'-P-C4' energy: -113.603 flat angles P-C4'-P energy: -69.039 tors. eta vs tors. theta energy: -159.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -1662.950061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.950061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.950061 (E_RNA) where: Base-Base interactions energy: -1155.119 where: short stacking energy: -472.708 Base-Backbone interact. energy: 0.629 local terms energy: -508.460904 where: bonds (distance) C4'-P energy: -82.782 bonds (distance) P-C4' energy: -96.736 flat angles C4'-P-C4' energy: -104.794 flat angles P-C4'-P energy: -65.822 tors. eta vs tors. theta energy: -158.328 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: 4 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -1573.066484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.066484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.066484 (E_RNA) where: Base-Base interactions energy: -1096.838 where: short stacking energy: -451.516 Base-Backbone interact. energy: -1.954 local terms energy: -474.274330 where: bonds (distance) C4'-P energy: -76.961 bonds (distance) P-C4' energy: -85.870 flat angles C4'-P-C4' energy: -103.315 flat angles P-C4'-P energy: -67.962 tors. eta vs tors. theta energy: -140.166 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: 6 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -1473.041315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.041315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.041315 (E_RNA) where: Base-Base interactions energy: -1020.849 where: short stacking energy: -400.154 Base-Backbone interact. energy: 0.138 local terms energy: -452.330389 where: bonds (distance) C4'-P energy: -87.337 bonds (distance) P-C4' energy: -87.844 flat angles C4'-P-C4' energy: -90.138 flat angles P-C4'-P energy: -64.605 tors. eta vs tors. theta energy: -122.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -1370.654501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.654501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.654501 (E_RNA) where: Base-Base interactions energy: -938.527 where: short stacking energy: -395.715 Base-Backbone interact. energy: 0.900 local terms energy: -433.027736 where: bonds (distance) C4'-P energy: -79.364 bonds (distance) P-C4' energy: -77.009 flat angles C4'-P-C4' energy: -96.380 flat angles P-C4'-P energy: -65.769 tors. eta vs tors. theta energy: -114.506 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: 1 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -1268.836315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.836315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.836315 (E_RNA) where: Base-Base interactions energy: -862.489 where: short stacking energy: -360.407 Base-Backbone interact. energy: 5.101 local terms energy: -411.448472 where: bonds (distance) C4'-P energy: -76.496 bonds (distance) P-C4' energy: -82.459 flat angles C4'-P-C4' energy: -92.435 flat angles P-C4'-P energy: -58.690 tors. eta vs tors. theta energy: -101.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -1073.447499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.447499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.447499 (E_RNA) where: Base-Base interactions energy: -688.514 where: short stacking energy: -304.469 Base-Backbone interact. energy: -2.047 local terms energy: -382.887199 where: bonds (distance) C4'-P energy: -85.479 bonds (distance) P-C4' energy: -91.414 flat angles C4'-P-C4' energy: -75.742 flat angles P-C4'-P energy: -58.021 tors. eta vs tors. theta energy: -72.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -734.056471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.056471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.056471 (E_RNA) where: Base-Base interactions energy: -431.238 where: short stacking energy: -204.503 Base-Backbone interact. energy: 0.501 local terms energy: -303.320066 where: bonds (distance) C4'-P energy: -78.884 bonds (distance) P-C4' energy: -84.355 flat angles C4'-P-C4' energy: -73.612 flat angles P-C4'-P energy: -48.264 tors. eta vs tors. theta energy: -18.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -1908.414175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.414175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.414175 (E_RNA) where: Base-Base interactions energy: -1349.611 where: short stacking energy: -557.186 Base-Backbone interact. energy: -0.722 local terms energy: -558.081370 where: bonds (distance) C4'-P energy: -84.890 bonds (distance) P-C4' energy: -95.064 flat angles C4'-P-C4' energy: -120.586 flat angles P-C4'-P energy: -83.748 tors. eta vs tors. theta energy: -173.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -1798.314736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.314736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.314736 (E_RNA) where: Base-Base interactions energy: -1267.267 where: short stacking energy: -506.890 Base-Backbone interact. energy: 1.045 local terms energy: -532.092985 where: bonds (distance) C4'-P energy: -86.948 bonds (distance) P-C4' energy: -89.743 flat angles C4'-P-C4' energy: -114.101 flat angles P-C4'-P energy: -81.369 tors. eta vs tors. theta energy: -159.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -1777.880555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.880555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.880555 (E_RNA) where: Base-Base interactions energy: -1254.505 where: short stacking energy: -509.736 Base-Backbone interact. energy: -2.190 local terms energy: -521.186053 where: bonds (distance) C4'-P energy: -93.096 bonds (distance) P-C4' energy: -104.170 flat angles C4'-P-C4' energy: -103.480 flat angles P-C4'-P energy: -73.089 tors. eta vs tors. theta energy: -147.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -1676.229989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.229989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.229989 (E_RNA) where: Base-Base interactions energy: -1163.297 where: short stacking energy: -491.022 Base-Backbone interact. energy: 5.990 local terms energy: -518.923289 where: bonds (distance) C4'-P energy: -89.568 bonds (distance) P-C4' energy: -87.725 flat angles C4'-P-C4' energy: -104.349 flat angles P-C4'-P energy: -77.989 tors. eta vs tors. theta energy: -159.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -1531.782985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.782985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.782985 (E_RNA) where: Base-Base interactions energy: -1068.917 where: short stacking energy: -435.794 Base-Backbone interact. energy: -0.330 local terms energy: -462.535738 where: bonds (distance) C4'-P energy: -85.992 bonds (distance) P-C4' energy: -84.611 flat angles C4'-P-C4' energy: -96.065 flat angles P-C4'-P energy: -64.807 tors. eta vs tors. theta energy: -131.061 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: 6, replica: 6 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -1434.178833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.178833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.178833 (E_RNA) where: Base-Base interactions energy: -1014.058 where: short stacking energy: -419.487 Base-Backbone interact. energy: 1.846 local terms energy: -421.966011 where: bonds (distance) C4'-P energy: -68.127 bonds (distance) P-C4' energy: -85.606 flat angles C4'-P-C4' energy: -98.344 flat angles P-C4'-P energy: -57.805 tors. eta vs tors. theta energy: -112.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -1365.240812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.240812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.240812 (E_RNA) where: Base-Base interactions energy: -923.766 where: short stacking energy: -385.257 Base-Backbone interact. energy: -1.114 local terms energy: -440.360684 where: bonds (distance) C4'-P energy: -77.216 bonds (distance) P-C4' energy: -101.665 flat angles C4'-P-C4' energy: -92.335 flat angles P-C4'-P energy: -60.332 tors. eta vs tors. theta energy: -108.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -1292.029631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.029631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.029631 (E_RNA) where: Base-Base interactions energy: -868.971 where: short stacking energy: -371.193 Base-Backbone interact. energy: -2.397 local terms energy: -420.661839 where: bonds (distance) C4'-P energy: -80.810 bonds (distance) P-C4' energy: -86.092 flat angles C4'-P-C4' energy: -96.693 flat angles P-C4'-P energy: -65.673 tors. eta vs tors. theta energy: -91.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -1063.432780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.432780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.432780 (E_RNA) where: Base-Base interactions energy: -705.747 where: short stacking energy: -279.312 Base-Backbone interact. energy: -0.535 local terms energy: -357.151133 where: bonds (distance) C4'-P energy: -74.668 bonds (distance) P-C4' energy: -85.762 flat angles C4'-P-C4' energy: -73.527 flat angles P-C4'-P energy: -55.779 tors. eta vs tors. theta energy: -67.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -751.662744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.662744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.662744 (E_RNA) where: Base-Base interactions energy: -459.537 where: short stacking energy: -216.265 Base-Backbone interact. energy: 3.141 local terms energy: -295.267010 where: bonds (distance) C4'-P energy: -73.046 bonds (distance) P-C4' energy: -66.013 flat angles C4'-P-C4' energy: -82.444 flat angles P-C4'-P energy: -37.147 tors. eta vs tors. theta energy: -36.617 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: 2 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -1907.235105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.235105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.235105 (E_RNA) where: Base-Base interactions energy: -1336.905 where: short stacking energy: -533.825 Base-Backbone interact. energy: 4.034 local terms energy: -574.363688 where: bonds (distance) C4'-P energy: -94.962 bonds (distance) P-C4' energy: -109.862 flat angles C4'-P-C4' energy: -117.827 flat angles P-C4'-P energy: -89.149 tors. eta vs tors. theta energy: -162.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -1810.486611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.486611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.486611 (E_RNA) where: Base-Base interactions energy: -1257.629 where: short stacking energy: -518.631 Base-Backbone interact. energy: 0.765 local terms energy: -553.622745 where: bonds (distance) C4'-P energy: -93.578 bonds (distance) P-C4' energy: -99.721 flat angles C4'-P-C4' energy: -108.239 flat angles P-C4'-P energy: -88.928 tors. eta vs tors. theta energy: -163.157 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: 3 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -1763.334585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.334585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.334585 (E_RNA) where: Base-Base interactions energy: -1258.287 where: short stacking energy: -505.276 Base-Backbone interact. energy: 2.724 local terms energy: -507.771274 where: bonds (distance) C4'-P energy: -82.183 bonds (distance) P-C4' energy: -90.278 flat angles C4'-P-C4' energy: -99.402 flat angles P-C4'-P energy: -77.099 tors. eta vs tors. theta energy: -158.810 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: 487 Temperature: 1.050000 Total energy: -1689.192207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.192207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.192207 (E_RNA) where: Base-Base interactions energy: -1162.089 where: short stacking energy: -467.014 Base-Backbone interact. energy: -1.751 local terms energy: -525.351632 where: bonds (distance) C4'-P energy: -104.484 bonds (distance) P-C4' energy: -82.306 flat angles C4'-P-C4' energy: -113.294 flat angles P-C4'-P energy: -69.009 tors. eta vs tors. theta energy: -156.259 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: 4 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -1567.985503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.985503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.985503 (E_RNA) where: Base-Base interactions energy: -1079.467 where: short stacking energy: -447.974 Base-Backbone interact. energy: -1.066 local terms energy: -487.452555 where: bonds (distance) C4'-P energy: -84.754 bonds (distance) P-C4' energy: -89.473 flat angles C4'-P-C4' energy: -108.192 flat angles P-C4'-P energy: -64.936 tors. eta vs tors. theta energy: -140.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -1385.488321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.488321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.488321 (E_RNA) where: Base-Base interactions energy: -949.326 where: short stacking energy: -403.945 Base-Backbone interact. energy: -0.726 local terms energy: -435.436019 where: bonds (distance) C4'-P energy: -71.734 bonds (distance) P-C4' energy: -91.931 flat angles C4'-P-C4' energy: -91.507 flat angles P-C4'-P energy: -67.052 tors. eta vs tors. theta energy: -113.211 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: 5 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -1314.383214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.383214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.383214 (E_RNA) where: Base-Base interactions energy: -885.035 where: short stacking energy: -372.483 Base-Backbone interact. energy: -1.758 local terms energy: -427.590411 where: bonds (distance) C4'-P energy: -74.848 bonds (distance) P-C4' energy: -80.726 flat angles C4'-P-C4' energy: -101.736 flat angles P-C4'-P energy: -65.855 tors. eta vs tors. theta energy: -104.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -1294.435322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.435322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.435322 (E_RNA) where: Base-Base interactions energy: -875.895 where: short stacking energy: -374.474 Base-Backbone interact. energy: -0.867 local terms energy: -417.673789 where: bonds (distance) C4'-P energy: -70.333 bonds (distance) P-C4' energy: -77.353 flat angles C4'-P-C4' energy: -99.461 flat angles P-C4'-P energy: -66.963 tors. eta vs tors. theta energy: -103.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -1072.226774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.226774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.226774 (E_RNA) where: Base-Base interactions energy: -726.171 where: short stacking energy: -314.146 Base-Backbone interact. energy: -0.154 local terms energy: -345.902243 where: bonds (distance) C4'-P energy: -70.994 bonds (distance) P-C4' energy: -71.616 flat angles C4'-P-C4' energy: -78.473 flat angles P-C4'-P energy: -57.410 tors. eta vs tors. theta energy: -67.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -781.806905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.806905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.806905 (E_RNA) where: Base-Base interactions energy: -439.330 where: short stacking energy: -215.851 Base-Backbone interact. energy: 1.127 local terms energy: -343.603779 where: bonds (distance) C4'-P energy: -71.764 bonds (distance) P-C4' energy: -83.210 flat angles C4'-P-C4' energy: -85.855 flat angles P-C4'-P energy: -59.797 tors. eta vs tors. theta energy: -42.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -1911.724461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.724461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.724461 (E_RNA) where: Base-Base interactions energy: -1351.297 where: short stacking energy: -533.606 Base-Backbone interact. energy: -1.540 local terms energy: -558.887944 where: bonds (distance) C4'-P energy: -88.952 bonds (distance) P-C4' energy: -99.115 flat angles C4'-P-C4' energy: -122.179 flat angles P-C4'-P energy: -83.033 tors. eta vs tors. theta energy: -165.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -1804.948435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.948435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.948435 (E_RNA) where: Base-Base interactions energy: -1283.283 where: short stacking energy: -522.862 Base-Backbone interact. energy: -0.796 local terms energy: -520.869144 where: bonds (distance) C4'-P energy: -94.896 bonds (distance) P-C4' energy: -84.689 flat angles C4'-P-C4' energy: -110.541 flat angles P-C4'-P energy: -77.108 tors. eta vs tors. theta energy: -153.634 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: 3 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -1744.627615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.627615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.627615 (E_RNA) where: Base-Base interactions energy: -1220.241 where: short stacking energy: -491.051 Base-Backbone interact. energy: -0.673 local terms energy: -523.713874 where: bonds (distance) C4'-P energy: -92.317 bonds (distance) P-C4' energy: -96.873 flat angles C4'-P-C4' energy: -103.925 flat angles P-C4'-P energy: -75.900 tors. eta vs tors. theta energy: -154.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -1692.355059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.355059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.355059 (E_RNA) where: Base-Base interactions energy: -1175.642 where: short stacking energy: -501.670 Base-Backbone interact. energy: 1.373 local terms energy: -518.086855 where: bonds (distance) C4'-P energy: -89.313 bonds (distance) P-C4' energy: -85.136 flat angles C4'-P-C4' energy: -107.309 flat angles P-C4'-P energy: -78.438 tors. eta vs tors. theta energy: -157.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -1553.738841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.738841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.738841 (E_RNA) where: Base-Base interactions energy: -1074.788 where: short stacking energy: -441.500 Base-Backbone interact. energy: -1.563 local terms energy: -477.388319 where: bonds (distance) C4'-P energy: -92.075 bonds (distance) P-C4' energy: -82.084 flat angles C4'-P-C4' energy: -98.733 flat angles P-C4'-P energy: -62.876 tors. eta vs tors. theta energy: -141.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -1428.180585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.180585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.180585 (E_RNA) where: Base-Base interactions energy: -989.048 where: short stacking energy: -400.673 Base-Backbone interact. energy: -0.587 local terms energy: -438.546035 where: bonds (distance) C4'-P energy: -68.554 bonds (distance) P-C4' energy: -95.321 flat angles C4'-P-C4' energy: -104.280 flat angles P-C4'-P energy: -56.431 tors. eta vs tors. theta energy: -113.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -1279.603683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.603683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.603683 (E_RNA) where: Base-Base interactions energy: -877.720 where: short stacking energy: -379.234 Base-Backbone interact. energy: 0.792 local terms energy: -402.675872 where: bonds (distance) C4'-P energy: -73.445 bonds (distance) P-C4' energy: -90.036 flat angles C4'-P-C4' energy: -97.038 flat angles P-C4'-P energy: -47.477 tors. eta vs tors. theta energy: -94.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -1267.478449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.478449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.478449 (E_RNA) where: Base-Base interactions energy: -857.551 where: short stacking energy: -365.517 Base-Backbone interact. energy: -0.573 local terms energy: -409.354010 where: bonds (distance) C4'-P energy: -65.683 bonds (distance) P-C4' energy: -84.654 flat angles C4'-P-C4' energy: -92.137 flat angles P-C4'-P energy: -56.578 tors. eta vs tors. theta energy: -110.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -1071.481118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.481118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.481118 (E_RNA) where: Base-Base interactions energy: -722.884 where: short stacking energy: -304.735 Base-Backbone interact. energy: -1.278 local terms energy: -347.319240 where: bonds (distance) C4'-P energy: -59.813 bonds (distance) P-C4' energy: -84.502 flat angles C4'-P-C4' energy: -66.696 flat angles P-C4'-P energy: -60.329 tors. eta vs tors. theta energy: -75.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -760.391484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.391484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.391484 (E_RNA) where: Base-Base interactions energy: -464.163 where: short stacking energy: -228.892 Base-Backbone interact. energy: -1.650 local terms energy: -294.578959 where: bonds (distance) C4'-P energy: -71.289 bonds (distance) P-C4' energy: -78.984 flat angles C4'-P-C4' energy: -64.242 flat angles P-C4'-P energy: -46.900 tors. eta vs tors. theta energy: -33.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -1909.843850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.843850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.843850 (E_RNA) where: Base-Base interactions energy: -1353.112 where: short stacking energy: -547.965 Base-Backbone interact. energy: -1.010 local terms energy: -555.721889 where: bonds (distance) C4'-P energy: -101.997 bonds (distance) P-C4' energy: -94.675 flat angles C4'-P-C4' energy: -112.812 flat angles P-C4'-P energy: -81.850 tors. eta vs tors. theta energy: -164.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -1778.385579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.385579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.385579 (E_RNA) where: Base-Base interactions energy: -1249.517 where: short stacking energy: -499.354 Base-Backbone interact. energy: 0.423 local terms energy: -529.291039 where: bonds (distance) C4'-P energy: -94.308 bonds (distance) P-C4' energy: -94.514 flat angles C4'-P-C4' energy: -113.208 flat angles P-C4'-P energy: -72.818 tors. eta vs tors. theta energy: -154.442 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: 8 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -1756.349493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.349493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.349493 (E_RNA) where: Base-Base interactions energy: -1249.730 where: short stacking energy: -492.235 Base-Backbone interact. energy: 0.243 local terms energy: -506.863437 where: bonds (distance) C4'-P energy: -92.423 bonds (distance) P-C4' energy: -95.687 flat angles C4'-P-C4' energy: -101.937 flat angles P-C4'-P energy: -64.859 tors. eta vs tors. theta energy: -151.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -1628.925029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.925029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.925029 (E_RNA) where: Base-Base interactions energy: -1127.086 where: short stacking energy: -459.858 Base-Backbone interact. energy: 0.394 local terms energy: -502.232982 where: bonds (distance) C4'-P energy: -90.904 bonds (distance) P-C4' energy: -75.276 flat angles C4'-P-C4' energy: -119.842 flat angles P-C4'-P energy: -75.760 tors. eta vs tors. theta energy: -140.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -1547.894857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.894857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.894857 (E_RNA) where: Base-Base interactions energy: -1067.021 where: short stacking energy: -435.918 Base-Backbone interact. energy: -2.145 local terms energy: -478.729461 where: bonds (distance) C4'-P energy: -75.876 bonds (distance) P-C4' energy: -95.138 flat angles C4'-P-C4' energy: -95.040 flat angles P-C4'-P energy: -75.742 tors. eta vs tors. theta energy: -136.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -1444.513908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.513908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.513908 (E_RNA) where: Base-Base interactions energy: -1001.145 where: short stacking energy: -399.509 Base-Backbone interact. energy: -0.227 local terms energy: -443.141626 where: bonds (distance) C4'-P energy: -76.981 bonds (distance) P-C4' energy: -98.932 flat angles C4'-P-C4' energy: -90.858 flat angles P-C4'-P energy: -60.229 tors. eta vs tors. theta energy: -116.142 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: 5 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -1308.217712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.217712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.217712 (E_RNA) where: Base-Base interactions energy: -880.779 where: short stacking energy: -365.943 Base-Backbone interact. energy: -0.404 local terms energy: -427.034877 where: bonds (distance) C4'-P energy: -87.600 bonds (distance) P-C4' energy: -77.176 flat angles C4'-P-C4' energy: -95.093 flat angles P-C4'-P energy: -57.752 tors. eta vs tors. theta energy: -109.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -1270.028312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.028312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.028312 (E_RNA) where: Base-Base interactions energy: -850.683 where: short stacking energy: -336.866 Base-Backbone interact. energy: 0.833 local terms energy: -420.177473 where: bonds (distance) C4'-P energy: -88.285 bonds (distance) P-C4' energy: -76.761 flat angles C4'-P-C4' energy: -100.351 flat angles P-C4'-P energy: -59.526 tors. eta vs tors. theta energy: -95.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -1054.108749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.108749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.108749 (E_RNA) where: Base-Base interactions energy: -691.319 where: short stacking energy: -294.489 Base-Backbone interact. energy: 2.294 local terms energy: -365.083840 where: bonds (distance) C4'-P energy: -91.196 bonds (distance) P-C4' energy: -62.598 flat angles C4'-P-C4' energy: -88.960 flat angles P-C4'-P energy: -54.364 tors. eta vs tors. theta energy: -67.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -760.950717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.950717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.950717 (E_RNA) where: Base-Base interactions energy: -446.613 where: short stacking energy: -213.430 Base-Backbone interact. energy: 5.543 local terms energy: -319.880536 where: bonds (distance) C4'-P energy: -82.814 bonds (distance) P-C4' energy: -82.448 flat angles C4'-P-C4' energy: -69.397 flat angles P-C4'-P energy: -51.988 tors. eta vs tors. theta energy: -33.234 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: 2 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -1899.573615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.573615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.573615 (E_RNA) where: Base-Base interactions energy: -1334.251 where: short stacking energy: -537.701 Base-Backbone interact. energy: 1.469 local terms energy: -566.791165 where: bonds (distance) C4'-P energy: -100.074 bonds (distance) P-C4' energy: -105.494 flat angles C4'-P-C4' energy: -112.359 flat angles P-C4'-P energy: -74.217 tors. eta vs tors. theta energy: -174.648 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: 3 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -1784.598049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.598049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.598049 (E_RNA) where: Base-Base interactions energy: -1253.575 where: short stacking energy: -508.810 Base-Backbone interact. energy: -1.100 local terms energy: -529.923038 where: bonds (distance) C4'-P energy: -90.588 bonds (distance) P-C4' energy: -94.088 flat angles C4'-P-C4' energy: -114.237 flat angles P-C4'-P energy: -73.780 tors. eta vs tors. theta energy: -157.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -1779.025993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.025993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.025993 (E_RNA) where: Base-Base interactions energy: -1261.248 where: short stacking energy: -506.868 Base-Backbone interact. energy: -1.806 local terms energy: -515.972361 where: bonds (distance) C4'-P energy: -101.948 bonds (distance) P-C4' energy: -72.670 flat angles C4'-P-C4' energy: -106.100 flat angles P-C4'-P energy: -77.968 tors. eta vs tors. theta energy: -157.286 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: 4, replica: 7 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -1642.558447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.558447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.558447 (E_RNA) where: Base-Base interactions energy: -1165.688 where: short stacking energy: -488.705 Base-Backbone interact. energy: -1.475 local terms energy: -475.395852 where: bonds (distance) C4'-P energy: -78.382 bonds (distance) P-C4' energy: -72.500 flat angles C4'-P-C4' energy: -109.979 flat angles P-C4'-P energy: -67.121 tors. eta vs tors. theta energy: -147.413 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: 4 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -1543.929709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.929709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.929709 (E_RNA) where: Base-Base interactions energy: -1081.438 where: short stacking energy: -447.364 Base-Backbone interact. energy: -0.858 local terms energy: -461.633068 where: bonds (distance) C4'-P energy: -79.595 bonds (distance) P-C4' energy: -78.903 flat angles C4'-P-C4' energy: -104.957 flat angles P-C4'-P energy: -65.579 tors. eta vs tors. theta energy: -132.599 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: 6, replica: 6 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -1450.653744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.653744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.653744 (E_RNA) where: Base-Base interactions energy: -1003.675 where: short stacking energy: -413.819 Base-Backbone interact. energy: 0.109 local terms energy: -447.087671 where: bonds (distance) C4'-P energy: -94.146 bonds (distance) P-C4' energy: -76.413 flat angles C4'-P-C4' energy: -97.545 flat angles P-C4'-P energy: -64.714 tors. eta vs tors. theta energy: -114.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -1284.221348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.221348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.221348 (E_RNA) where: Base-Base interactions energy: -882.623 where: short stacking energy: -383.910 Base-Backbone interact. energy: -2.834 local terms energy: -398.764392 where: bonds (distance) C4'-P energy: -62.541 bonds (distance) P-C4' energy: -83.037 flat angles C4'-P-C4' energy: -93.333 flat angles P-C4'-P energy: -56.448 tors. eta vs tors. theta energy: -103.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -1267.008223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.008223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.008223 (E_RNA) where: Base-Base interactions energy: -864.254 where: short stacking energy: -357.976 Base-Backbone interact. energy: 2.393 local terms energy: -405.147381 where: bonds (distance) C4'-P energy: -90.131 bonds (distance) P-C4' energy: -83.425 flat angles C4'-P-C4' energy: -76.309 flat angles P-C4'-P energy: -72.367 tors. eta vs tors. theta energy: -82.914 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: 10 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -1097.102481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.102481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.102481 (E_RNA) where: Base-Base interactions energy: -709.283 where: short stacking energy: -300.700 Base-Backbone interact. energy: -2.569 local terms energy: -385.251322 where: bonds (distance) C4'-P energy: -92.910 bonds (distance) P-C4' energy: -86.877 flat angles C4'-P-C4' energy: -79.285 flat angles P-C4'-P energy: -68.413 tors. eta vs tors. theta energy: -57.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -802.930098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.930098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.930098 (E_RNA) where: Base-Base interactions energy: -458.794 where: short stacking energy: -210.007 Base-Backbone interact. energy: 3.219 local terms energy: -347.355643 where: bonds (distance) C4'-P energy: -86.872 bonds (distance) P-C4' energy: -75.518 flat angles C4'-P-C4' energy: -86.587 flat angles P-C4'-P energy: -59.895 tors. eta vs tors. theta energy: -38.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -1899.598184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.598184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.598184 (E_RNA) where: Base-Base interactions energy: -1353.546 where: short stacking energy: -545.226 Base-Backbone interact. energy: -0.545 local terms energy: -545.507239 where: bonds (distance) C4'-P energy: -94.345 bonds (distance) P-C4' energy: -95.772 flat angles C4'-P-C4' energy: -106.777 flat angles P-C4'-P energy: -79.846 tors. eta vs tors. theta energy: -168.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -1801.095962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.095962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.095962 (E_RNA) where: Base-Base interactions energy: -1252.876 where: short stacking energy: -508.225 Base-Backbone interact. energy: -2.231 local terms energy: -545.988713 where: bonds (distance) C4'-P energy: -95.820 bonds (distance) P-C4' energy: -93.602 flat angles C4'-P-C4' energy: -110.710 flat angles P-C4'-P energy: -87.381 tors. eta vs tors. theta energy: -158.476 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: 3 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -1745.256382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.256382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.256382 (E_RNA) where: Base-Base interactions energy: -1228.291 where: short stacking energy: -508.697 Base-Backbone interact. energy: -1.419 local terms energy: -515.546506 where: bonds (distance) C4'-P energy: -92.754 bonds (distance) P-C4' energy: -91.280 flat angles C4'-P-C4' energy: -111.906 flat angles P-C4'-P energy: -69.985 tors. eta vs tors. theta energy: -149.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -1656.759777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.759777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.759777 (E_RNA) where: Base-Base interactions energy: -1131.414 where: short stacking energy: -465.582 Base-Backbone interact. energy: -0.379 local terms energy: -524.967479 where: bonds (distance) C4'-P energy: -88.043 bonds (distance) P-C4' energy: -89.234 flat angles C4'-P-C4' energy: -110.316 flat angles P-C4'-P energy: -73.980 tors. eta vs tors. theta energy: -163.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -1543.904510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.904510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.904510 (E_RNA) where: Base-Base interactions energy: -1066.312 where: short stacking energy: -436.658 Base-Backbone interact. energy: -2.741 local terms energy: -474.851164 where: bonds (distance) C4'-P energy: -80.445 bonds (distance) P-C4' energy: -95.445 flat angles C4'-P-C4' energy: -101.265 flat angles P-C4'-P energy: -57.454 tors. eta vs tors. theta energy: -140.242 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: 6 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -1383.269839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.269839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.269839 (E_RNA) where: Base-Base interactions energy: -964.391 where: short stacking energy: -392.910 Base-Backbone interact. energy: -0.117 local terms energy: -418.761593 where: bonds (distance) C4'-P energy: -74.512 bonds (distance) P-C4' energy: -88.243 flat angles C4'-P-C4' energy: -84.164 flat angles P-C4'-P energy: -61.922 tors. eta vs tors. theta energy: -109.921 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: 491 Temperature: 1.200000 Total energy: -1340.390467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.390467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.390467 (E_RNA) where: Base-Base interactions energy: -914.384 where: short stacking energy: -394.651 Base-Backbone interact. energy: 1.716 local terms energy: -427.722841 where: bonds (distance) C4'-P energy: -81.154 bonds (distance) P-C4' energy: -70.695 flat angles C4'-P-C4' energy: -98.479 flat angles P-C4'-P energy: -61.488 tors. eta vs tors. theta energy: -115.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -1269.746843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.746843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.746843 (E_RNA) where: Base-Base interactions energy: -848.065 where: short stacking energy: -358.958 Base-Backbone interact. energy: -0.804 local terms energy: -420.877817 where: bonds (distance) C4'-P energy: -81.806 bonds (distance) P-C4' energy: -84.022 flat angles C4'-P-C4' energy: -106.062 flat angles P-C4'-P energy: -49.737 tors. eta vs tors. theta energy: -99.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -1097.172468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.172468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.172468 (E_RNA) where: Base-Base interactions energy: -727.442 where: short stacking energy: -314.069 Base-Backbone interact. energy: -2.067 local terms energy: -367.663011 where: bonds (distance) C4'-P energy: -66.553 bonds (distance) P-C4' energy: -95.519 flat angles C4'-P-C4' energy: -88.020 flat angles P-C4'-P energy: -41.040 tors. eta vs tors. theta energy: -76.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -793.522982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.522982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.522982 (E_RNA) where: Base-Base interactions energy: -485.600 where: short stacking energy: -230.537 Base-Backbone interact. energy: -0.918 local terms energy: -307.004845 where: bonds (distance) C4'-P energy: -68.591 bonds (distance) P-C4' energy: -93.068 flat angles C4'-P-C4' energy: -70.808 flat angles P-C4'-P energy: -29.453 tors. eta vs tors. theta energy: -45.085 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: 2 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -1915.547395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.547395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.547395 (E_RNA) where: Base-Base interactions energy: -1349.170 where: short stacking energy: -543.887 Base-Backbone interact. energy: -0.180 local terms energy: -566.197578 where: bonds (distance) C4'-P energy: -103.296 bonds (distance) P-C4' energy: -95.721 flat angles C4'-P-C4' energy: -118.788 flat angles P-C4'-P energy: -82.947 tors. eta vs tors. theta energy: -165.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -1793.106712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.106712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.106712 (E_RNA) where: Base-Base interactions energy: -1256.428 where: short stacking energy: -523.342 Base-Backbone interact. energy: 0.825 local terms energy: -537.504096 where: bonds (distance) C4'-P energy: -92.681 bonds (distance) P-C4' energy: -91.407 flat angles C4'-P-C4' energy: -108.805 flat angles P-C4'-P energy: -81.511 tors. eta vs tors. theta energy: -163.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -1741.507329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.507329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.507329 (E_RNA) where: Base-Base interactions energy: -1237.067 where: short stacking energy: -507.519 Base-Backbone interact. energy: -0.343 local terms energy: -504.098079 where: bonds (distance) C4'-P energy: -81.010 bonds (distance) P-C4' energy: -79.205 flat angles C4'-P-C4' energy: -114.330 flat angles P-C4'-P energy: -71.665 tors. eta vs tors. theta energy: -157.888 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: 7 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -1664.241272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.241272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.241272 (E_RNA) where: Base-Base interactions energy: -1161.525 where: short stacking energy: -481.699 Base-Backbone interact. energy: -1.430 local terms energy: -501.286980 where: bonds (distance) C4'-P energy: -84.940 bonds (distance) P-C4' energy: -83.279 flat angles C4'-P-C4' energy: -110.371 flat angles P-C4'-P energy: -71.368 tors. eta vs tors. theta energy: -151.329 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: 5, replica: 4 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -1546.472454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.472454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.472454 (E_RNA) where: Base-Base interactions energy: -1073.566 where: short stacking energy: -436.407 Base-Backbone interact. energy: -3.346 local terms energy: -469.560980 where: bonds (distance) C4'-P energy: -84.853 bonds (distance) P-C4' energy: -87.490 flat angles C4'-P-C4' energy: -99.795 flat angles P-C4'-P energy: -67.962 tors. eta vs tors. theta energy: -129.462 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: 6 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -1442.103167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.103167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.103167 (E_RNA) where: Base-Base interactions energy: -984.464 where: short stacking energy: -412.866 Base-Backbone interact. energy: -0.036 local terms energy: -457.603945 where: bonds (distance) C4'-P energy: -79.038 bonds (distance) P-C4' energy: -96.156 flat angles C4'-P-C4' energy: -97.146 flat angles P-C4'-P energy: -66.615 tors. eta vs tors. theta energy: -118.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -1278.767008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.767008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.767008 (E_RNA) where: Base-Base interactions energy: -878.020 where: short stacking energy: -364.983 Base-Backbone interact. energy: 1.634 local terms energy: -402.381020 where: bonds (distance) C4'-P energy: -78.349 bonds (distance) P-C4' energy: -76.447 flat angles C4'-P-C4' energy: -96.652 flat angles P-C4'-P energy: -65.632 tors. eta vs tors. theta energy: -85.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -1264.672958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.672958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.672958 (E_RNA) where: Base-Base interactions energy: -846.133 where: short stacking energy: -348.649 Base-Backbone interact. energy: 1.347 local terms energy: -419.886961 where: bonds (distance) C4'-P energy: -73.808 bonds (distance) P-C4' energy: -76.283 flat angles C4'-P-C4' energy: -91.074 flat angles P-C4'-P energy: -72.741 tors. eta vs tors. theta energy: -105.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -1082.619719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.619719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.619719 (E_RNA) where: Base-Base interactions energy: -698.794 where: short stacking energy: -294.497 Base-Backbone interact. energy: 0.997 local terms energy: -384.823394 where: bonds (distance) C4'-P energy: -84.076 bonds (distance) P-C4' energy: -79.741 flat angles C4'-P-C4' energy: -98.596 flat angles P-C4'-P energy: -61.465 tors. eta vs tors. theta energy: -60.946 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: 9 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -793.877804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.877804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.877804 (E_RNA) where: Base-Base interactions energy: -448.263 where: short stacking energy: -227.282 Base-Backbone interact. energy: 0.467 local terms energy: -346.081482 where: bonds (distance) C4'-P energy: -76.395 bonds (distance) P-C4' energy: -83.401 flat angles C4'-P-C4' energy: -80.419 flat angles P-C4'-P energy: -61.244 tors. eta vs tors. theta energy: -44.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -1908.174359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.174359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.174359 (E_RNA) where: Base-Base interactions energy: -1363.826 where: short stacking energy: -551.547 Base-Backbone interact. energy: 2.578 local terms energy: -546.925882 where: bonds (distance) C4'-P energy: -95.740 bonds (distance) P-C4' energy: -95.782 flat angles C4'-P-C4' energy: -114.286 flat angles P-C4'-P energy: -75.149 tors. eta vs tors. theta energy: -165.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -1806.326008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.326008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.326008 (E_RNA) where: Base-Base interactions energy: -1259.047 where: short stacking energy: -503.936 Base-Backbone interact. energy: -1.872 local terms energy: -545.406748 where: bonds (distance) C4'-P energy: -91.718 bonds (distance) P-C4' energy: -102.442 flat angles C4'-P-C4' energy: -109.355 flat angles P-C4'-P energy: -80.662 tors. eta vs tors. theta energy: -161.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -1755.815809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.815809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.815809 (E_RNA) where: Base-Base interactions energy: -1251.553 where: short stacking energy: -497.422 Base-Backbone interact. energy: -0.211 local terms energy: -504.051802 where: bonds (distance) C4'-P energy: -83.591 bonds (distance) P-C4' energy: -87.701 flat angles C4'-P-C4' energy: -107.737 flat angles P-C4'-P energy: -77.331 tors. eta vs tors. theta energy: -147.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -1637.765228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.765228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.765228 (E_RNA) where: Base-Base interactions energy: -1133.529 where: short stacking energy: -463.176 Base-Backbone interact. energy: -1.291 local terms energy: -502.944655 where: bonds (distance) C4'-P energy: -86.857 bonds (distance) P-C4' energy: -85.951 flat angles C4'-P-C4' energy: -113.725 flat angles P-C4'-P energy: -62.933 tors. eta vs tors. theta energy: -153.479 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: 4 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -1523.836361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.836361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.836361 (E_RNA) where: Base-Base interactions energy: -1038.611 where: short stacking energy: -441.997 Base-Backbone interact. energy: 0.954 local terms energy: -486.179165 where: bonds (distance) C4'-P energy: -89.140 bonds (distance) P-C4' energy: -83.548 flat angles C4'-P-C4' energy: -105.963 flat angles P-C4'-P energy: -74.480 tors. eta vs tors. theta energy: -133.048 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: 6 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -1390.424927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.424927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.424927 (E_RNA) where: Base-Base interactions energy: -945.921 where: short stacking energy: -397.080 Base-Backbone interact. energy: -1.913 local terms energy: -442.591521 where: bonds (distance) C4'-P energy: -75.122 bonds (distance) P-C4' energy: -83.363 flat angles C4'-P-C4' energy: -98.542 flat angles P-C4'-P energy: -75.849 tors. eta vs tors. theta energy: -109.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -1296.968179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.968179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.968179 (E_RNA) where: Base-Base interactions energy: -872.305 where: short stacking energy: -358.847 Base-Backbone interact. energy: -2.163 local terms energy: -422.499986 where: bonds (distance) C4'-P energy: -83.839 bonds (distance) P-C4' energy: -83.796 flat angles C4'-P-C4' energy: -97.418 flat angles P-C4'-P energy: -64.102 tors. eta vs tors. theta energy: -93.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -1278.744064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.744064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.744064 (E_RNA) where: Base-Base interactions energy: -839.325 where: short stacking energy: -355.921 Base-Backbone interact. energy: -0.421 local terms energy: -438.997919 where: bonds (distance) C4'-P energy: -88.776 bonds (distance) P-C4' energy: -93.108 flat angles C4'-P-C4' energy: -83.261 flat angles P-C4'-P energy: -65.889 tors. eta vs tors. theta energy: -107.963 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: 9, replica: 10 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -1073.320689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.320689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.320689 (E_RNA) where: Base-Base interactions energy: -704.953 where: short stacking energy: -288.335 Base-Backbone interact. energy: -0.981 local terms energy: -367.386539 where: bonds (distance) C4'-P energy: -77.679 bonds (distance) P-C4' energy: -79.758 flat angles C4'-P-C4' energy: -80.785 flat angles P-C4'-P energy: -58.458 tors. eta vs tors. theta energy: -70.707 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: 9 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -781.770355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.770355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.770355 (E_RNA) where: Base-Base interactions energy: -465.622 where: short stacking energy: -209.246 Base-Backbone interact. energy: 2.327 local terms energy: -318.474923 where: bonds (distance) C4'-P energy: -78.681 bonds (distance) P-C4' energy: -76.900 flat angles C4'-P-C4' energy: -94.433 flat angles P-C4'-P energy: -35.113 tors. eta vs tors. theta energy: -33.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -1916.121069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.121069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.121069 (E_RNA) where: Base-Base interactions energy: -1346.208 where: short stacking energy: -543.104 Base-Backbone interact. energy: -0.645 local terms energy: -569.267591 where: bonds (distance) C4'-P energy: -93.468 bonds (distance) P-C4' energy: -100.193 flat angles C4'-P-C4' energy: -120.284 flat angles P-C4'-P energy: -88.590 tors. eta vs tors. theta energy: -166.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -1819.857039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.857039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.857039 (E_RNA) where: Base-Base interactions energy: -1264.555 where: short stacking energy: -513.244 Base-Backbone interact. energy: -0.799 local terms energy: -554.502546 where: bonds (distance) C4'-P energy: -102.836 bonds (distance) P-C4' energy: -99.403 flat angles C4'-P-C4' energy: -113.058 flat angles P-C4'-P energy: -78.005 tors. eta vs tors. theta energy: -161.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -1736.655253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.655253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.655253 (E_RNA) where: Base-Base interactions energy: -1218.777 where: short stacking energy: -499.642 Base-Backbone interact. energy: 3.092 local terms energy: -520.970347 where: bonds (distance) C4'-P energy: -91.883 bonds (distance) P-C4' energy: -88.159 flat angles C4'-P-C4' energy: -105.499 flat angles P-C4'-P energy: -90.098 tors. eta vs tors. theta energy: -145.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -1643.461086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.461086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.461086 (E_RNA) where: Base-Base interactions energy: -1142.875 where: short stacking energy: -470.742 Base-Backbone interact. energy: 3.342 local terms energy: -503.927788 where: bonds (distance) C4'-P energy: -95.463 bonds (distance) P-C4' energy: -88.174 flat angles C4'-P-C4' energy: -111.936 flat angles P-C4'-P energy: -62.032 tors. eta vs tors. theta energy: -146.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -1543.160228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.160228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.160228 (E_RNA) where: Base-Base interactions energy: -1078.210 where: short stacking energy: -444.337 Base-Backbone interact. energy: 3.550 local terms energy: -468.500221 where: bonds (distance) C4'-P energy: -76.075 bonds (distance) P-C4' energy: -85.620 flat angles C4'-P-C4' energy: -108.921 flat angles P-C4'-P energy: -57.683 tors. eta vs tors. theta energy: -140.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -1356.864402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.864402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.864402 (E_RNA) where: Base-Base interactions energy: -925.636 where: short stacking energy: -386.854 Base-Backbone interact. energy: 5.156 local terms energy: -436.384205 where: bonds (distance) C4'-P energy: -82.553 bonds (distance) P-C4' energy: -81.898 flat angles C4'-P-C4' energy: -102.471 flat angles P-C4'-P energy: -64.739 tors. eta vs tors. theta energy: -104.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -1307.750839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.750839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.750839 (E_RNA) where: Base-Base interactions energy: -901.486 where: short stacking energy: -388.898 Base-Backbone interact. energy: -0.867 local terms energy: -405.398379 where: bonds (distance) C4'-P energy: -74.954 bonds (distance) P-C4' energy: -75.925 flat angles C4'-P-C4' energy: -83.140 flat angles P-C4'-P energy: -64.592 tors. eta vs tors. theta energy: -106.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -1230.210398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.210398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.210398 (E_RNA) where: Base-Base interactions energy: -833.527 where: short stacking energy: -369.199 Base-Backbone interact. energy: 1.219 local terms energy: -397.902674 where: bonds (distance) C4'-P energy: -85.359 bonds (distance) P-C4' energy: -67.116 flat angles C4'-P-C4' energy: -84.269 flat angles P-C4'-P energy: -65.160 tors. eta vs tors. theta energy: -95.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -1065.920193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.920193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.920193 (E_RNA) where: Base-Base interactions energy: -684.037 where: short stacking energy: -294.346 Base-Backbone interact. energy: 0.113 local terms energy: -381.995913 where: bonds (distance) C4'-P energy: -91.566 bonds (distance) P-C4' energy: -96.040 flat angles C4'-P-C4' energy: -82.274 flat angles P-C4'-P energy: -42.839 tors. eta vs tors. theta energy: -69.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -771.282906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.282906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.282906 (E_RNA) where: Base-Base interactions energy: -462.400 where: short stacking energy: -219.651 Base-Backbone interact. energy: -1.036 local terms energy: -307.847029 where: bonds (distance) C4'-P energy: -78.158 bonds (distance) P-C4' energy: -89.613 flat angles C4'-P-C4' energy: -68.302 flat angles P-C4'-P energy: -49.961 tors. eta vs tors. theta energy: -21.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -1916.710051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.710051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.710051 (E_RNA) where: Base-Base interactions energy: -1368.444 where: short stacking energy: -546.037 Base-Backbone interact. energy: -0.411 local terms energy: -547.854766 where: bonds (distance) C4'-P energy: -102.820 bonds (distance) P-C4' energy: -98.969 flat angles C4'-P-C4' energy: -107.757 flat angles P-C4'-P energy: -74.678 tors. eta vs tors. theta energy: -163.631 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: 8 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -1806.544382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.544382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.544382 (E_RNA) where: Base-Base interactions energy: -1263.991 where: short stacking energy: -510.554 Base-Backbone interact. energy: -0.704 local terms energy: -541.849536 where: bonds (distance) C4'-P energy: -97.403 bonds (distance) P-C4' energy: -91.017 flat angles C4'-P-C4' energy: -113.957 flat angles P-C4'-P energy: -82.684 tors. eta vs tors. theta energy: -156.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -1761.873763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.873763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.873763 (E_RNA) where: Base-Base interactions energy: -1231.695 where: short stacking energy: -486.780 Base-Backbone interact. energy: -0.931 local terms energy: -529.247152 where: bonds (distance) C4'-P energy: -74.777 bonds (distance) P-C4' energy: -99.635 flat angles C4'-P-C4' energy: -118.321 flat angles P-C4'-P energy: -78.368 tors. eta vs tors. theta energy: -158.146 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: 7 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -1638.575155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.575155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.575155 (E_RNA) where: Base-Base interactions energy: -1133.894 where: short stacking energy: -480.950 Base-Backbone interact. energy: -1.491 local terms energy: -503.190228 where: bonds (distance) C4'-P energy: -93.414 bonds (distance) P-C4' energy: -86.864 flat angles C4'-P-C4' energy: -96.398 flat angles P-C4'-P energy: -73.716 tors. eta vs tors. theta energy: -152.800 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: 495 Temperature: 1.100000 Total energy: -1578.994405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.994405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.994405 (E_RNA) where: Base-Base interactions energy: -1068.809 where: short stacking energy: -442.500 Base-Backbone interact. energy: -1.040 local terms energy: -509.145751 where: bonds (distance) C4'-P energy: -89.195 bonds (distance) P-C4' energy: -99.068 flat angles C4'-P-C4' energy: -115.970 flat angles P-C4'-P energy: -69.545 tors. eta vs tors. theta energy: -135.368 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: 6 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -1354.782316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.782316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.782316 (E_RNA) where: Base-Base interactions energy: -914.077 where: short stacking energy: -391.979 Base-Backbone interact. energy: -2.096 local terms energy: -438.608924 where: bonds (distance) C4'-P energy: -85.420 bonds (distance) P-C4' energy: -92.456 flat angles C4'-P-C4' energy: -97.180 flat angles P-C4'-P energy: -59.263 tors. eta vs tors. theta energy: -104.290 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: 495 Temperature: 1.200000 Total energy: -1313.536063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.536063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.536063 (E_RNA) where: Base-Base interactions energy: -882.640 where: short stacking energy: -385.949 Base-Backbone interact. energy: 0.991 local terms energy: -431.887461 where: bonds (distance) C4'-P energy: -78.669 bonds (distance) P-C4' energy: -92.453 flat angles C4'-P-C4' energy: -81.117 flat angles P-C4'-P energy: -71.417 tors. eta vs tors. theta energy: -108.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -1227.590183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.590183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.590183 (E_RNA) where: Base-Base interactions energy: -823.881 where: short stacking energy: -334.201 Base-Backbone interact. energy: 5.380 local terms energy: -409.089149 where: bonds (distance) C4'-P energy: -87.236 bonds (distance) P-C4' energy: -84.796 flat angles C4'-P-C4' energy: -91.560 flat angles P-C4'-P energy: -57.772 tors. eta vs tors. theta energy: -87.724 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: 10 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -1089.506394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.506394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.506394 (E_RNA) where: Base-Base interactions energy: -734.179 where: short stacking energy: -310.003 Base-Backbone interact. energy: 7.058 local terms energy: -362.385430 where: bonds (distance) C4'-P energy: -75.818 bonds (distance) P-C4' energy: -87.821 flat angles C4'-P-C4' energy: -91.520 flat angles P-C4'-P energy: -48.492 tors. eta vs tors. theta energy: -58.735 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: 10, replica: 9 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -794.027395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.027395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.027395 (E_RNA) where: Base-Base interactions energy: -481.903 where: short stacking energy: -221.757 Base-Backbone interact. energy: 4.894 local terms energy: -317.018776 where: bonds (distance) C4'-P energy: -74.714 bonds (distance) P-C4' energy: -90.510 flat angles C4'-P-C4' energy: -58.063 flat angles P-C4'-P energy: -59.068 tors. eta vs tors. theta energy: -34.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -1915.419777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.419777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.419777 (E_RNA) where: Base-Base interactions energy: -1355.073 where: short stacking energy: -547.586 Base-Backbone interact. energy: -0.869 local terms energy: -559.478379 where: bonds (distance) C4'-P energy: -92.490 bonds (distance) P-C4' energy: -101.887 flat angles C4'-P-C4' energy: -109.936 flat angles P-C4'-P energy: -84.022 tors. eta vs tors. theta energy: -171.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -1824.076368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.076368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.076368 (E_RNA) where: Base-Base interactions energy: -1268.163 where: short stacking energy: -511.264 Base-Backbone interact. energy: -1.452 local terms energy: -554.461047 where: bonds (distance) C4'-P energy: -100.764 bonds (distance) P-C4' energy: -96.443 flat angles C4'-P-C4' energy: -110.606 flat angles P-C4'-P energy: -85.698 tors. eta vs tors. theta energy: -160.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -1774.738481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.738481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.738481 (E_RNA) where: Base-Base interactions energy: -1261.180 where: short stacking energy: -514.145 Base-Backbone interact. energy: -0.080 local terms energy: -513.478551 where: bonds (distance) C4'-P energy: -85.216 bonds (distance) P-C4' energy: -96.131 flat angles C4'-P-C4' energy: -108.687 flat angles P-C4'-P energy: -60.752 tors. eta vs tors. theta energy: -162.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -1643.989855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.989855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.989855 (E_RNA) where: Base-Base interactions energy: -1160.204 where: short stacking energy: -458.332 Base-Backbone interact. energy: -2.661 local terms energy: -481.125274 where: bonds (distance) C4'-P energy: -81.733 bonds (distance) P-C4' energy: -89.724 flat angles C4'-P-C4' energy: -97.484 flat angles P-C4'-P energy: -70.412 tors. eta vs tors. theta energy: -141.771 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: 496 Temperature: 1.100000 Total energy: -1539.774353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.774353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.774353 (E_RNA) where: Base-Base interactions energy: -1063.107 where: short stacking energy: -427.720 Base-Backbone interact. energy: -2.762 local terms energy: -473.906082 where: bonds (distance) C4'-P energy: -84.690 bonds (distance) P-C4' energy: -93.551 flat angles C4'-P-C4' energy: -100.660 flat angles P-C4'-P energy: -64.577 tors. eta vs tors. theta energy: -130.427 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: 6 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -1408.443079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.443079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.443079 (E_RNA) where: Base-Base interactions energy: -958.167 where: short stacking energy: -423.370 Base-Backbone interact. energy: -1.162 local terms energy: -449.114096 where: bonds (distance) C4'-P energy: -85.181 bonds (distance) P-C4' energy: -76.149 flat angles C4'-P-C4' energy: -99.491 flat angles P-C4'-P energy: -64.944 tors. eta vs tors. theta energy: -123.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -1293.903518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.903518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.903518 (E_RNA) where: Base-Base interactions energy: -873.202 where: short stacking energy: -344.503 Base-Backbone interact. energy: -1.677 local terms energy: -419.024838 where: bonds (distance) C4'-P energy: -85.729 bonds (distance) P-C4' energy: -84.624 flat angles C4'-P-C4' energy: -91.918 flat angles P-C4'-P energy: -66.437 tors. eta vs tors. theta energy: -90.317 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: 8, replica: 1 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -1217.847154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.847154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.847154 (E_RNA) where: Base-Base interactions energy: -842.929 where: short stacking energy: -365.582 Base-Backbone interact. energy: -1.662 local terms energy: -373.256111 where: bonds (distance) C4'-P energy: -66.111 bonds (distance) P-C4' energy: -81.047 flat angles C4'-P-C4' energy: -77.601 flat angles P-C4'-P energy: -55.405 tors. eta vs tors. theta energy: -93.092 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: 10 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -1120.301582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.301582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.301582 (E_RNA) where: Base-Base interactions energy: -759.088 where: short stacking energy: -313.314 Base-Backbone interact. energy: -0.014 local terms energy: -361.200133 where: bonds (distance) C4'-P energy: -71.517 bonds (distance) P-C4' energy: -83.921 flat angles C4'-P-C4' energy: -76.392 flat angles P-C4'-P energy: -53.303 tors. eta vs tors. theta energy: -76.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -766.093031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.093031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.093031 (E_RNA) where: Base-Base interactions energy: -453.937 where: short stacking energy: -222.148 Base-Backbone interact. energy: -2.108 local terms energy: -310.048505 where: bonds (distance) C4'-P energy: -84.689 bonds (distance) P-C4' energy: -74.008 flat angles C4'-P-C4' energy: -78.130 flat angles P-C4'-P energy: -38.321 tors. eta vs tors. theta energy: -34.901 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: 1, replica: 2 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -1895.130359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.130359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.130359 (E_RNA) where: Base-Base interactions energy: -1342.378 where: short stacking energy: -545.759 Base-Backbone interact. energy: 0.821 local terms energy: -553.573117 where: bonds (distance) C4'-P energy: -101.731 bonds (distance) P-C4' energy: -90.117 flat angles C4'-P-C4' energy: -111.249 flat angles P-C4'-P energy: -81.796 tors. eta vs tors. theta energy: -168.679 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: 2, replica: 8 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -1849.153361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.153361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.153361 (E_RNA) where: Base-Base interactions energy: -1300.292 where: short stacking energy: -525.144 Base-Backbone interact. energy: -1.978 local terms energy: -546.882595 where: bonds (distance) C4'-P energy: -97.324 bonds (distance) P-C4' energy: -87.042 flat angles C4'-P-C4' energy: -110.854 flat angles P-C4'-P energy: -82.516 tors. eta vs tors. theta energy: -169.147 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: 497 Temperature: 1.000000 Total energy: -1745.530752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.530752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.530752 (E_RNA) where: Base-Base interactions energy: -1246.493 where: short stacking energy: -506.219 Base-Backbone interact. energy: 0.743 local terms energy: -499.780087 where: bonds (distance) C4'-P energy: -77.418 bonds (distance) P-C4' energy: -85.093 flat angles C4'-P-C4' energy: -109.844 flat angles P-C4'-P energy: -75.138 tors. eta vs tors. theta energy: -152.288 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: 7 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -1655.922788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.922788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.922788 (E_RNA) where: Base-Base interactions energy: -1143.384 where: short stacking energy: -461.442 Base-Backbone interact. energy: -0.802 local terms energy: -511.737500 where: bonds (distance) C4'-P energy: -86.275 bonds (distance) P-C4' energy: -98.258 flat angles C4'-P-C4' energy: -99.166 flat angles P-C4'-P energy: -78.840 tors. eta vs tors. theta energy: -149.199 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: 4 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -1581.889488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.889488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.889488 (E_RNA) where: Base-Base interactions energy: -1121.115 where: short stacking energy: -455.409 Base-Backbone interact. energy: -0.923 local terms energy: -459.850835 where: bonds (distance) C4'-P energy: -86.063 bonds (distance) P-C4' energy: -74.360 flat angles C4'-P-C4' energy: -92.990 flat angles P-C4'-P energy: -70.380 tors. eta vs tors. theta energy: -136.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -1336.914529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.914529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.914529 (E_RNA) where: Base-Base interactions energy: -876.488 where: short stacking energy: -391.885 Base-Backbone interact. energy: 1.002 local terms energy: -461.428787 where: bonds (distance) C4'-P energy: -90.036 bonds (distance) P-C4' energy: -81.763 flat angles C4'-P-C4' energy: -104.514 flat angles P-C4'-P energy: -66.063 tors. eta vs tors. theta energy: -119.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -1358.118808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.118808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.118808 (E_RNA) where: Base-Base interactions energy: -936.551 where: short stacking energy: -364.384 Base-Backbone interact. energy: 0.154 local terms energy: -421.721778 where: bonds (distance) C4'-P energy: -76.026 bonds (distance) P-C4' energy: -80.852 flat angles C4'-P-C4' energy: -95.535 flat angles P-C4'-P energy: -56.715 tors. eta vs tors. theta energy: -112.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -1212.383488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.383488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.383488 (E_RNA) where: Base-Base interactions energy: -814.311 where: short stacking energy: -349.801 Base-Backbone interact. energy: 0.889 local terms energy: -398.961658 where: bonds (distance) C4'-P energy: -74.285 bonds (distance) P-C4' energy: -75.742 flat angles C4'-P-C4' energy: -85.740 flat angles P-C4'-P energy: -65.493 tors. eta vs tors. theta energy: -97.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -1086.815041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.815041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.815041 (E_RNA) where: Base-Base interactions energy: -719.025 where: short stacking energy: -306.704 Base-Backbone interact. energy: 1.369 local terms energy: -369.159268 where: bonds (distance) C4'-P energy: -72.119 bonds (distance) P-C4' energy: -82.282 flat angles C4'-P-C4' energy: -82.021 flat angles P-C4'-P energy: -52.300 tors. eta vs tors. theta energy: -80.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -720.501114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.501114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.501114 (E_RNA) where: Base-Base interactions energy: -429.320 where: short stacking energy: -201.677 Base-Backbone interact. energy: -3.029 local terms energy: -288.151681 where: bonds (distance) C4'-P energy: -64.844 bonds (distance) P-C4' energy: -65.990 flat angles C4'-P-C4' energy: -70.752 flat angles P-C4'-P energy: -54.202 tors. eta vs tors. theta energy: -32.364 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: 2 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -1896.094502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.094502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.094502 (E_RNA) where: Base-Base interactions energy: -1345.360 where: short stacking energy: -544.371 Base-Backbone interact. energy: -0.245 local terms energy: -550.489026 where: bonds (distance) C4'-P energy: -100.440 bonds (distance) P-C4' energy: -96.336 flat angles C4'-P-C4' energy: -115.459 flat angles P-C4'-P energy: -70.688 tors. eta vs tors. theta energy: -167.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -1820.968656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.968656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.968656 (E_RNA) where: Base-Base interactions energy: -1291.078 where: short stacking energy: -530.628 Base-Backbone interact. energy: -0.578 local terms energy: -529.312474 where: bonds (distance) C4'-P energy: -89.177 bonds (distance) P-C4' energy: -98.099 flat angles C4'-P-C4' energy: -110.223 flat angles P-C4'-P energy: -68.786 tors. eta vs tors. theta energy: -163.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -1735.413976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.413976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.413976 (E_RNA) where: Base-Base interactions energy: -1223.085 where: short stacking energy: -492.172 Base-Backbone interact. energy: -0.440 local terms energy: -511.889111 where: bonds (distance) C4'-P energy: -92.810 bonds (distance) P-C4' energy: -87.099 flat angles C4'-P-C4' energy: -111.269 flat angles P-C4'-P energy: -71.298 tors. eta vs tors. theta energy: -149.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -1663.027974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.027974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.027974 (E_RNA) where: Base-Base interactions energy: -1150.599 where: short stacking energy: -482.151 Base-Backbone interact. energy: -1.921 local terms energy: -510.508283 where: bonds (distance) C4'-P energy: -88.040 bonds (distance) P-C4' energy: -79.094 flat angles C4'-P-C4' energy: -106.003 flat angles P-C4'-P energy: -76.111 tors. eta vs tors. theta energy: -161.260 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: 4 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -1581.297517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.297517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.297517 (E_RNA) where: Base-Base interactions energy: -1106.329 where: short stacking energy: -423.004 Base-Backbone interact. energy: -0.435 local terms energy: -474.533238 where: bonds (distance) C4'-P energy: -91.499 bonds (distance) P-C4' energy: -70.399 flat angles C4'-P-C4' energy: -109.202 flat angles P-C4'-P energy: -73.798 tors. eta vs tors. theta energy: -129.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -1336.453767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.453767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.453767 (E_RNA) where: Base-Base interactions energy: -905.333 where: short stacking energy: -395.715 Base-Backbone interact. energy: -0.359 local terms energy: -430.761877 where: bonds (distance) C4'-P energy: -74.298 bonds (distance) P-C4' energy: -82.706 flat angles C4'-P-C4' energy: -95.640 flat angles P-C4'-P energy: -52.754 tors. eta vs tors. theta energy: -125.364 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: 6 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -1393.211259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.211259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.211259 (E_RNA) where: Base-Base interactions energy: -951.631 where: short stacking energy: -373.426 Base-Backbone interact. energy: -1.820 local terms energy: -439.759642 where: bonds (distance) C4'-P energy: -74.814 bonds (distance) P-C4' energy: -81.509 flat angles C4'-P-C4' energy: -98.992 flat angles P-C4'-P energy: -75.153 tors. eta vs tors. theta energy: -109.291 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: 1 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -1209.305732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.305732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.305732 (E_RNA) where: Base-Base interactions energy: -806.569 where: short stacking energy: -344.052 Base-Backbone interact. energy: -1.222 local terms energy: -401.515015 where: bonds (distance) C4'-P energy: -74.005 bonds (distance) P-C4' energy: -82.996 flat angles C4'-P-C4' energy: -90.718 flat angles P-C4'-P energy: -64.254 tors. eta vs tors. theta energy: -89.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -1043.970640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.970640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.970640 (E_RNA) where: Base-Base interactions energy: -672.567 where: short stacking energy: -277.436 Base-Backbone interact. energy: 2.265 local terms energy: -373.668853 where: bonds (distance) C4'-P energy: -77.044 bonds (distance) P-C4' energy: -92.614 flat angles C4'-P-C4' energy: -88.590 flat angles P-C4'-P energy: -51.306 tors. eta vs tors. theta energy: -64.114 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: 10, replica: 9 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -717.749856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.749856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.749856 (E_RNA) where: Base-Base interactions energy: -435.867 where: short stacking energy: -202.574 Base-Backbone interact. energy: -1.619 local terms energy: -280.264266 where: bonds (distance) C4'-P energy: -81.528 bonds (distance) P-C4' energy: -71.121 flat angles C4'-P-C4' energy: -63.219 flat angles P-C4'-P energy: -32.582 tors. eta vs tors. theta energy: -31.814 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: 2 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -1881.893983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.893983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.893983 (E_RNA) where: Base-Base interactions energy: -1339.024 where: short stacking energy: -552.448 Base-Backbone interact. energy: 2.053 local terms energy: -544.923058 where: bonds (distance) C4'-P energy: -85.405 bonds (distance) P-C4' energy: -105.407 flat angles C4'-P-C4' energy: -118.777 flat angles P-C4'-P energy: -71.693 tors. eta vs tors. theta energy: -163.640 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: 499 Temperature: 0.950000 Total energy: -1809.853250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.853250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.853250 (E_RNA) where: Base-Base interactions energy: -1281.138 where: short stacking energy: -519.382 Base-Backbone interact. energy: -0.973 local terms energy: -527.742890 where: bonds (distance) C4'-P energy: -86.195 bonds (distance) P-C4' energy: -90.222 flat angles C4'-P-C4' energy: -103.261 flat angles P-C4'-P energy: -84.308 tors. eta vs tors. theta energy: -163.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -1782.121210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.121210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.121210 (E_RNA) where: Base-Base interactions energy: -1251.722 where: short stacking energy: -502.472 Base-Backbone interact. energy: 1.515 local terms energy: -531.914783 where: bonds (distance) C4'-P energy: -85.146 bonds (distance) P-C4' energy: -95.744 flat angles C4'-P-C4' energy: -114.777 flat angles P-C4'-P energy: -80.383 tors. eta vs tors. theta energy: -155.865 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: 7 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -1669.417222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.417222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.417222 (E_RNA) where: Base-Base interactions energy: -1155.338 where: short stacking energy: -486.175 Base-Backbone interact. energy: 1.192 local terms energy: -515.271271 where: bonds (distance) C4'-P energy: -92.038 bonds (distance) P-C4' energy: -86.500 flat angles C4'-P-C4' energy: -101.683 flat angles P-C4'-P energy: -73.530 tors. eta vs tors. theta energy: -161.520 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: 5, replica: 4 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -1611.716369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.716369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.716369 (E_RNA) where: Base-Base interactions energy: -1139.881 where: short stacking energy: -459.774 Base-Backbone interact. energy: 0.136 local terms energy: -471.972072 where: bonds (distance) C4'-P energy: -89.002 bonds (distance) P-C4' energy: -86.383 flat angles C4'-P-C4' energy: -89.826 flat angles P-C4'-P energy: -65.523 tors. eta vs tors. theta energy: -141.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -1379.390467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.390467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.390467 (E_RNA) where: Base-Base interactions energy: -941.402 where: short stacking energy: -388.630 Base-Backbone interact. energy: 0.806 local terms energy: -438.794322 where: bonds (distance) C4'-P energy: -89.317 bonds (distance) P-C4' energy: -66.330 flat angles C4'-P-C4' energy: -99.648 flat angles P-C4'-P energy: -64.608 tors. eta vs tors. theta energy: -118.891 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: 5 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -1326.880591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.880591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.880591 (E_RNA) where: Base-Base interactions energy: -880.191 where: short stacking energy: -369.742 Base-Backbone interact. energy: -0.791 local terms energy: -445.898307 where: bonds (distance) C4'-P energy: -96.128 bonds (distance) P-C4' energy: -82.171 flat angles C4'-P-C4' energy: -100.491 flat angles P-C4'-P energy: -62.131 tors. eta vs tors. theta energy: -104.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -1214.330510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.330510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.330510 (E_RNA) where: Base-Base interactions energy: -799.099 where: short stacking energy: -335.989 Base-Backbone interact. energy: -0.686 local terms energy: -414.545426 where: bonds (distance) C4'-P energy: -89.449 bonds (distance) P-C4' energy: -73.351 flat angles C4'-P-C4' energy: -101.785 flat angles P-C4'-P energy: -55.956 tors. eta vs tors. theta energy: -94.004 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: 10 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -1094.026786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.026786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.026786 (E_RNA) where: Base-Base interactions energy: -708.204 where: short stacking energy: -298.453 Base-Backbone interact. energy: -1.306 local terms energy: -384.516822 where: bonds (distance) C4'-P energy: -85.386 bonds (distance) P-C4' energy: -92.973 flat angles C4'-P-C4' energy: -85.007 flat angles P-C4'-P energy: -54.379 tors. eta vs tors. theta energy: -66.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -688.857144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.857144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.857144 (E_RNA) where: Base-Base interactions energy: -412.820 where: short stacking energy: -176.430 Base-Backbone interact. energy: -2.843 local terms energy: -273.194358 where: bonds (distance) C4'-P energy: -77.377 bonds (distance) P-C4' energy: -70.152 flat angles C4'-P-C4' energy: -65.172 flat angles P-C4'-P energy: -52.255 tors. eta vs tors. theta energy: -8.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -1894.325745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.325745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.325745 (E_RNA) where: Base-Base interactions energy: -1338.616 where: short stacking energy: -545.326 Base-Backbone interact. energy: -2.193 local terms energy: -553.516669 where: bonds (distance) C4'-P energy: -101.323 bonds (distance) P-C4' energy: -97.041 flat angles C4'-P-C4' energy: -114.831 flat angles P-C4'-P energy: -84.156 tors. eta vs tors. theta energy: -156.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -1806.398943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.398943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.398943 (E_RNA) where: Base-Base interactions energy: -1284.922 where: short stacking energy: -522.844 Base-Backbone interact. energy: -2.282 local terms energy: -519.194643 where: bonds (distance) C4'-P energy: -83.162 bonds (distance) P-C4' energy: -95.209 flat angles C4'-P-C4' energy: -105.206 flat angles P-C4'-P energy: -75.867 tors. eta vs tors. theta energy: -159.751 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: 3 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -1747.555023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.555023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.555023 (E_RNA) where: Base-Base interactions energy: -1228.770 where: short stacking energy: -486.511 Base-Backbone interact. energy: -1.035 local terms energy: -517.749886 where: bonds (distance) C4'-P energy: -96.913 bonds (distance) P-C4' energy: -89.703 flat angles C4'-P-C4' energy: -101.961 flat angles P-C4'-P energy: -72.973 tors. eta vs tors. theta energy: -156.200 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: 7 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -1652.301068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.301068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.301068 (E_RNA) where: Base-Base interactions energy: -1157.354 where: short stacking energy: -470.697 Base-Backbone interact. energy: -2.710 local terms energy: -492.237031 where: bonds (distance) C4'-P energy: -76.468 bonds (distance) P-C4' energy: -89.512 flat angles C4'-P-C4' energy: -104.674 flat angles P-C4'-P energy: -76.306 tors. eta vs tors. theta energy: -145.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -1596.931342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.931342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.931342 (E_RNA) where: Base-Base interactions energy: -1108.824 where: short stacking energy: -461.274 Base-Backbone interact. energy: 0.629 local terms energy: -488.737265 where: bonds (distance) C4'-P energy: -83.836 bonds (distance) P-C4' energy: -102.162 flat angles C4'-P-C4' energy: -102.942 flat angles P-C4'-P energy: -59.964 tors. eta vs tors. theta energy: -139.833 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: 6 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -1385.459070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.459070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.459070 (E_RNA) where: Base-Base interactions energy: -954.396 where: short stacking energy: -390.336 Base-Backbone interact. energy: -4.093 local terms energy: -426.969718 where: bonds (distance) C4'-P energy: -82.454 bonds (distance) P-C4' energy: -90.182 flat angles C4'-P-C4' energy: -85.906 flat angles P-C4'-P energy: -61.017 tors. eta vs tors. theta energy: -107.411 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: 500 Temperature: 1.200000 Total energy: -1323.366983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.366983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.366983 (E_RNA) where: Base-Base interactions energy: -908.274 where: short stacking energy: -376.406 Base-Backbone interact. energy: 4.035 local terms energy: -419.128142 where: bonds (distance) C4'-P energy: -76.426 bonds (distance) P-C4' energy: -82.257 flat angles C4'-P-C4' energy: -89.732 flat angles P-C4'-P energy: -62.687 tors. eta vs tors. theta energy: -108.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -1203.077320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.077320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.077320 (E_RNA) where: Base-Base interactions energy: -813.553 where: short stacking energy: -363.403 Base-Backbone interact. energy: 2.551 local terms energy: -392.075647 where: bonds (distance) C4'-P energy: -72.805 bonds (distance) P-C4' energy: -83.139 flat angles C4'-P-C4' energy: -82.328 flat angles P-C4'-P energy: -50.832 tors. eta vs tors. theta energy: -102.971 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: 10 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -1051.061876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.061876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.061876 (E_RNA) where: Base-Base interactions energy: -686.813 where: short stacking energy: -283.279 Base-Backbone interact. energy: 2.269 local terms energy: -366.518025 where: bonds (distance) C4'-P energy: -64.862 bonds (distance) P-C4' energy: -81.830 flat angles C4'-P-C4' energy: -90.019 flat angles P-C4'-P energy: -56.814 tors. eta vs tors. theta energy: -72.993 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: 10, replica: 9 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -745.005179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.005179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.005179 (E_RNA) where: Base-Base interactions energy: -426.120 where: short stacking energy: -206.603 Base-Backbone interact. energy: 1.014 local terms energy: -319.899198 where: bonds (distance) C4'-P energy: -86.608 bonds (distance) P-C4' energy: -83.399 flat angles C4'-P-C4' energy: -59.090 flat angles P-C4'-P energy: -49.763 tors. eta vs tors. theta energy: -41.039 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: 2 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -1911.672462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.672462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.672462 (E_RNA) where: Base-Base interactions energy: -1352.186 where: short stacking energy: -537.783 Base-Backbone interact. energy: -1.327 local terms energy: -558.159812 where: bonds (distance) C4'-P energy: -102.217 bonds (distance) P-C4' energy: -82.261 flat angles C4'-P-C4' energy: -114.979 flat angles P-C4'-P energy: -89.512 tors. eta vs tors. theta energy: -169.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -1828.737600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.737600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.737600 (E_RNA) where: Base-Base interactions energy: -1296.000 where: short stacking energy: -526.279 Base-Backbone interact. energy: -1.332 local terms energy: -531.405566 where: bonds (distance) C4'-P energy: -98.776 bonds (distance) P-C4' energy: -89.461 flat angles C4'-P-C4' energy: -109.812 flat angles P-C4'-P energy: -73.846 tors. eta vs tors. theta energy: -159.511 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: 3 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -1742.831915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.831915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.831915 (E_RNA) where: Base-Base interactions energy: -1209.872 where: short stacking energy: -494.439 Base-Backbone interact. energy: 0.001 local terms energy: -532.961757 where: bonds (distance) C4'-P energy: -100.563 bonds (distance) P-C4' energy: -85.895 flat angles C4'-P-C4' energy: -114.690 flat angles P-C4'-P energy: -81.145 tors. eta vs tors. theta energy: -150.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -1650.367153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.367153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.367153 (E_RNA) where: Base-Base interactions energy: -1132.888 where: short stacking energy: -449.503 Base-Backbone interact. energy: -1.395 local terms energy: -516.084107 where: bonds (distance) C4'-P energy: -94.657 bonds (distance) P-C4' energy: -95.774 flat angles C4'-P-C4' energy: -110.194 flat angles P-C4'-P energy: -67.806 tors. eta vs tors. theta energy: -147.653 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: 4 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -1579.211933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.211933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.211933 (E_RNA) where: Base-Base interactions energy: -1111.271 where: short stacking energy: -454.129 Base-Backbone interact. energy: -0.270 local terms energy: -467.671326 where: bonds (distance) C4'-P energy: -84.951 bonds (distance) P-C4' energy: -64.170 flat angles C4'-P-C4' energy: -108.129 flat angles P-C4'-P energy: -60.696 tors. eta vs tors. theta energy: -149.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -1379.871053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.871053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.871053 (E_RNA) where: Base-Base interactions energy: -951.026 where: short stacking energy: -400.773 Base-Backbone interact. energy: -0.534 local terms energy: -428.310970 where: bonds (distance) C4'-P energy: -79.785 bonds (distance) P-C4' energy: -84.231 flat angles C4'-P-C4' energy: -91.471 flat angles P-C4'-P energy: -63.124 tors. eta vs tors. theta energy: -109.700 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: 5 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -1310.554334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.554334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.554334 (E_RNA) where: Base-Base interactions energy: -890.839 where: short stacking energy: -370.462 Base-Backbone interact. energy: -0.575 local terms energy: -419.140615 where: bonds (distance) C4'-P energy: -84.069 bonds (distance) P-C4' energy: -82.254 flat angles C4'-P-C4' energy: -84.221 flat angles P-C4'-P energy: -59.111 tors. eta vs tors. theta energy: -109.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -1196.089284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.089284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.089284 (E_RNA) where: Base-Base interactions energy: -806.102 where: short stacking energy: -339.317 Base-Backbone interact. energy: 0.275 local terms energy: -390.263008 where: bonds (distance) C4'-P energy: -93.362 bonds (distance) P-C4' energy: -69.913 flat angles C4'-P-C4' energy: -89.952 flat angles P-C4'-P energy: -48.807 tors. eta vs tors. theta energy: -88.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -1094.570134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.570134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.570134 (E_RNA) where: Base-Base interactions energy: -715.009 where: short stacking energy: -309.406 Base-Backbone interact. energy: -0.670 local terms energy: -378.890747 where: bonds (distance) C4'-P energy: -84.589 bonds (distance) P-C4' energy: -75.448 flat angles C4'-P-C4' energy: -75.122 flat angles P-C4'-P energy: -58.004 tors. eta vs tors. theta energy: -85.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -769.593995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.593995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.593995 (E_RNA) where: Base-Base interactions energy: -443.633 where: short stacking energy: -225.796 Base-Backbone interact. energy: -0.672 local terms energy: -325.289378 where: bonds (distance) C4'-P energy: -91.050 bonds (distance) P-C4' energy: -80.264 flat angles C4'-P-C4' energy: -69.191 flat angles P-C4'-P energy: -46.986 tors. eta vs tors. theta energy: -37.799 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) replica 2 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 74244174 moves confirmed later: 81420211 all moves confirmed: 155664385 percent of confirmed moves: 19.458048 current total energy: -1801.397137 recalc. total energy: -1801.397137 replica 8 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 75050542 moves confirmed later: 82836795 all moves confirmed: 157887337 percent of confirmed moves: 19.735917 current total energy: -1686.518932 recalc. total energy: -1686.518932 replica 3 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 70171839 moves confirmed later: 76418083 all moves confirmed: 146589922 percent of confirmed moves: 18.323740 current total energy: -1584.010870 recalc. total energy: -1584.010870 replica 7 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 92226536 moves confirmed later: 104434870 all moves confirmed: 196661406 percent of confirmed moves: 24.582676 current total energy: -1545.171287 recalc. total energy: -1545.171287 replica 4 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 81128697 moves confirmed later: 90300777 all moves confirmed: 171429474 percent of confirmed moves: 21.428684 current total energy: -1531.457366 recalc. total energy: -1531.457366 replica 6 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 98224409 moves confirmed later: 113483644 all moves confirmed: 211708053 percent of confirmed moves: 26.463507 current total energy: -1303.527179 recalc. total energy: -1303.527179 replica 5 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 105918298 moves confirmed later: 123570676 all moves confirmed: 229488974 percent of confirmed moves: 28.686122 current total energy: -1166.117793 recalc. total energy: -1166.117793 replica 1 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 99720092 moves confirmed later: 115399084 all moves confirmed: 215119176 percent of confirmed moves: 26.889897 current total energy: -1068.562174 recalc. total energy: -1068.562174 replica 10 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 162089785 moves confirmed later: 196002011 all moves confirmed: 358091796 percent of confirmed moves: 44.761474 current total energy: -1009.028536 recalc. total energy: -1009.028536 replica 9 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 125289053 moves confirmed later: 148542927 all moves confirmed: 273831980 percent of confirmed moves: 34.228997 current total energy: -591.123844 recalc. total energy: -591.123844 out arg RESULTS//1/fu-b29a2823_01 Time of doing 8000000 iterations: 25832.168 seconds